4-[(2E)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]benzoic acid
Basic information
- CAS
849912-69-2- Standard SMILES
O=C(O)c1ccc(N/N=C/c2cccc3nccnc23)cc1- InChIKey
HRCXMMLRJQRXDP-VXLYETTFSA-N- Molecular formula
- C16H12N4O2
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.09602564
Names & identifiers
- Preferred name
- 4-[(2E)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]benzoic acid
- IUPAC
- 4-[(2E)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]benzoic acid
Names & synonyms
4-[(2E)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]benzoic acidCHEMBL3195580DTXSID601331189STK573394AKOS005497953849912-69-2(E)-4-(2-(quinoxalin-5-ylmethylene)hydrazinyl)benzoic acid4-{(2E)-2-[(Quinoxalin-5-yl)methylidene]hydrazinyl}benzoic acid
Database identifiers
- CAS
849912-69-2- PubChem CID
- 9682252
- DTXSID
DTXSID601331189- ChEMBL
CHEMBL3195580
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Solubility24.8 [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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