Basic information
- CAS
64894-96-8- Standard SMILES
NC(=O)c1cccc2c(Nc3ccc(C(=O)O)cc3)c3ccccc3nc12- InChIKey
WSGUNAGKVXIIAV-UHFFFAOYSA-N- Molecular formula
- C21H15N3O3
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.11134135
Names & identifiers
- Preferred name
- Benzoic acid, 4-((4-(aminocarbonyl)-9-acridinyl)amino)-
- IUPAC
- 4-[(4-carbamoylacridin-9-yl)amino]benzoic acid
Names & synonyms
Benzoic acid, 4-((4-(aminocarbonyl)-9-acridinyl)amino)-64894-96-84-((4-(Aminocarbonyl)-9-acridinyl)amino)benzoic acid4-[(4-carbamoylacridin-9-yl)amino]benzoic acidCHEMBL322827DTXSID60215193
Database identifiers
- CAS
64894-96-8- PubChem CID
- 149240
- DTXSID
DTXSID60215193- ChEMBL
CHEMBL322827
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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