Basic information
- CAS
739301-85-0- Standard SMILES
Cc1cc(N=Nc2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)c(N)cc1N- InChIKey
LNPJMIMLAFXLSJ-UHFFFAOYSA-N- Molecular formula
- C20H18N6O3
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.14403846
Names & identifiers
- Preferred name
- 5-((E)-(4-((E)-(2,4-diamino-5-methylphenyl)diazenyl)phenyl)diazenyl)-2-hydroxybenzoic acid
- IUPAC
- 5-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Names & synonyms
NSC45586739301-85-0CHEMBL1270266NSC-45586NSC45586 free baseSCHEMBL30271124DTXSID801039270BDBM503288265-((E)-(4-((E)-(2,4-diamino-5-methylphenyl)diazenyl)phenyl)diazenyl)-2-hydroxybenzoic acidDA-56312HY-19820CS-0016846
Show more names
5-((4-((2,4-Diamino-5-methylphenyl)diazenyl)phenyl)diazenyl)-2-hydroxybenzoic acidBenzoic acid, 5-[2-[4-[2-(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-2-hydroxy-
Database identifiers
- CAS
739301-85-0- PubChem CID
- 413222
- DTXSID
DTXSID801039270- ChEMBL
CHEMBL1270266
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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