Basic information
- CAS
64895-14-3- Standard SMILES
O=C(O)COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
LOQRRKOWZQQCAP-UHFFFAOYSA-N- Molecular formula
- C21H16N2O3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.11609238
Names & identifiers
- Preferred name
- (4-(9-Acridinylamino)phenoxy)acetic acid
- IUPAC
- 2-[4-(acridin-9-ylamino)phenoxy]acetic acid
Names & synonyms
64895-14-3(4-(9-Acridinylamino)phenoxy)acetic acidAcetic acid, (4-(9-acridinylamino)phenoxy)-CHEMBL105991SCHEMBL20856844DTXSID10983476{4-[(Acridin-9(10H)-ylidene)amino]phenoxy}acetic acid
Database identifiers
- CAS
64895-14-3- PubChem CID
- 149243
- DTXSID
DTXSID10983476- ChEMBL
CHEMBL105991
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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