Basic information
- CAS
64924-18-1- Standard SMILES
O=C(O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
OTNZBINKURMOIR-UHFFFAOYSA-N- Molecular formula
- C22H18N2O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.13682782
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 4-(9-acridinylamino)-
- IUPAC
- 3-[4-(acridin-9-ylamino)phenyl]propanoic acid
Names & synonyms
Benzenepropanoic acid, 4-(9-acridinylamino)-64924-18-1CHEMBL170501DTXSID802152313-{4-[(ACRIDIN-9-YL)AMINO]PHENYL}PROPANOIC ACID
Database identifiers
- CAS
64924-18-1- PubChem CID
- 149252
- DTXSID
DTXSID80215231- ChEMBL
CHEMBL170501
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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