Basic information
- CAS
64894-84-4- Standard SMILES
Cc1cc(C(=O)O)ccc1Nc1c2ccccc2nc2ccccc12- InChIKey
KPZKWHCNCCPJEM-UHFFFAOYSA-N- Molecular formula
- C21H16N2O2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12117776
Names & identifiers
- Preferred name
- Benzoic acid, 4-(9-acridinylamino)-3-methyl-
- IUPAC
- 4-(acridin-9-ylamino)-3-methylbenzoic acid
Names & synonyms
Benzoic acid, 4-(9-acridinylamino)-3-methyl-64894-84-44-(9-Acridinylamino)-3-methylbenzoic acidCHEMBL106324DTXSID702151844-[(ACRIDIN-9-YL)AMINO]-3-METHYLBENZOIC ACID
Database identifiers
- CAS
64894-84-4- PubChem CID
- 149231
- DTXSID
DTXSID70215184- ChEMBL
CHEMBL106324
Properties
Computed structural properties
- XLogP
- 5
- 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
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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