Basic information
- CAS
371211-28-8- Standard SMILES
O=C(O)c1cccc(NC2=Nc3cccc4cccc2c34)c1- InChIKey
WFWFLOQMEVXRRK-UHFFFAOYSA-N- Molecular formula
- C18H12N2O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.08987763
Overview
3-(2-benzo[cd]indolylamino)benzoic acid is a member of naphthalenes.
Names & identifiers
- Preferred name
- 3-(2-Benzo[cd]indolylamino)benzoic acid
- IUPAC
- 3-(benzo[cd]indol-2-ylamino)benzoic acid
Names & synonyms
3-(benzo[cd]indol-2-ylamino)benzoic acid3-(2-benzo[cd]indolylamino)benzoic acid371211-28-8MLS000777977CHEMBL1460302CHEBI:121119DTXSID201331163HMS2771B09STK561837AKOS005487889AKOS0305217213-(benzo[cd]indolium-2-ylamino)benzoate
Show more names
SMR0004143713-(Benzo[cd]indol-2-ylamino)-benzoic acid3-[(Benzo[cd]indol-2-yl)amino]benzoic acidQ27209365
Database identifiers
- CAS
371211-28-8- PubChem CID
- 930987
- DTXSID
DTXSID201331163- ChEMBL
CHEMBL1460302- ChEBI
CHEBI:121119
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
Solubility36.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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