Benzoic acid, 4-((3-iodo-9-acridinyl)amino)-
Basic information
- CAS
64894-93-5- Standard SMILES
O=C(O)c1ccc(Nc2c3ccccc3nc3cc(I)ccc23)cc1- InChIKey
IYGOFTMCPNPPRP-UHFFFAOYSA-N- Molecular formula
- C20H13IN2O2
- Average molar mass
- 440.2 g/mol
- Monoisotopic mass
- 440.00218
Names & identifiers
- Preferred name
- Benzoic acid, 4-((3-iodo-9-acridinyl)amino)-
- IUPAC
- 4-[(3-iodoacridin-9-yl)amino]benzoic acid
Names & synonyms
Benzoic acid, 4-((3-iodo-9-acridinyl)amino)-64894-93-54-((3-Iodo-9-acridinyl)amino)benzoic acid4-[(3-iodoacridin-9-yl)amino]benzoic acidCHEMBL320576DTXSID40215191
Database identifiers
- CAS
64894-93-5- PubChem CID
- 149238
- DTXSID
DTXSID40215191- ChEMBL
CHEMBL320576
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
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Compound notes
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