Atom properties
The atom properties are exported to CDX file format the following way:
| ChemAxon | ChemBioDraw | Comment |
|---|---|---|
| Atomic charge |  |
|
| 's<n>' query property except 's*' | |
Substituents Exactly |
| 's*' query property | |
Free Sites '*0' |
| 'u' query property | |
Unsaturation |
| Reaction Stereo | |
|
| Enhanced Stereochemistry | |
|
| Radical | |
|
| 'h<n>' query property except 'h<0>' | |
Free Sites set to implicit hydrogens on the atom minus n. |
| 'h<0>' query property | |
Implicit Hydrogens not allowed. |
| 'rb<n>' query property | |
Ring Bond Count |
| 'H', 'X', 'R', 'r' query properties and Query Valence | |
Written and read as user definied properties. ChemBioDraw removes them. |
Bonds
The following bond features exported to CDX file format from Marvin:
| ChemAxon | ChemBioDraw | Comment |
|---|---|---|
| Single bond | ||
| Single bond | |
Plain |
| Single bond Down | |
Hashed Wedged |
| Bold | |
Bold bond |
| Single bond Up | |
Hollow Wedged |
| Coordinative bond | |
Dative |
| Single bond Up or Down | |
Wavy |
| Double bonds | ||
| Double bond | |
Plain |
| Single or double query bond type | |
Tautomeric |
| Aromatic | |
Aromatic bond |
| Triple bond | |
Triple bond |
| Bond properties | ||
| Query bonds | ||
| Any | |
Any bond |
| S/D | |
Single or double query bond type |
| S/A | |
Single or aromatic query bond type |
| D/A | |
Double or aromatic query bond type |
| Topology | ||
| Ring | |
Bond is in ring |
| Chain | |
Bond is in chain |
| Reaction center | ||
| Center | |
The bond is a reacting center. |
| Make/Break | |
The bond is made or broken in the reaction |
| Change | |
The bond (order) has changed in the reaction |
| Make and Change | |
The bond is created and changed |
| Not Center | |
The bond is not a reacting center |
| Not modified | |
The bond is not modified in the reaction |
Reaction arrow
The following reaction arrows exported to CDX file format from Marvin:
| ChemAxon | ChemBioDraw | Comment |
|---|---|---|
| Single reaction arrow type | |
Solid |
| Double reaction arrow type |
|
Retrosynthetic |
| Resonance arrow type | |
Resonance |
| Equilibrium arrow type | |
Equilibrium |
Groups
| ChemAxon | ChemBioDraw | Comment |
|---|---|---|
| Any polymer S-group type | |
Anypolymer (anyp) |
| Component S-group type | |
Component (c) |
| Copolymer S-group type | |
Copolymer (co) |
| Copolymer S-group type with alternating polymer S-group subtype | |
Copolymer, alternating (alt) |
| Copolymer S-group type with block polymer S-group subtype | |
Copolymer, block (blk) |
| Copolymer S-group type with random polymer S-group subtype | |
Copolymer, random (ran) |
| Crosslink S-group type | |
Crosslink (xl) |
| Generic S-group type | |
Generic () |
| Graft S-group type | |
Graft (grf) |
| Mer S-group type | |
Mer (mer) |
| Formulation S-group type. | |
Mixture, ordered (f) |
| Mixture S-group type | |
Mixture, unordered (mix) |
| Modification S-group type | |
Modification (mod) |
| Monomer S-group type | |
Monomer (mon) |
| Multiple group S-group type | |
Multiple Group (#) |
| SRU S-group type | |
SRU (n) |
| Repeat pattern | ||
| Head-to-tail S-group connectivity | |
Head-to-Tail |
| Head-to-head S-group connectivity | |
Head-to-Head |
| Either unknown S-group connectivity | |
Either/Unknown |
| Flip Type | |
Supported |
Symbols
| ChemAxon | ChemBioDraw | Comment |
|---|---|---|
| LP atoms | |
Exported as graphical Lone Pairs |
| Absolute stereo | |
Exported as 'Abs' label |