JMS
- Molecular formula
- C14 H11 Cl2 N O2
- Molecular weight (g/mol)
- 296.15
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid
- SMILES
- Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl
- Isomeric SMILES
- Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl
- InChI
- InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
- InChIKey
- SBDNJUWAMKYJOX-UHFFFAOYSA-N
- CAS
- 644-62-2
- ATC codes
- M01AG04, M02AA18
Chemical & physical properties
- HBA
- 2
- HBD
- 2
- TPSA (Ų)
- 49.33
- cLogP
- 4.74
- Chiral atoms
- 0
- Molar refractivity
- 77.88
- Rings
- 2
- Aromatic rings
- 2
- Fraction Csp³
- 0.07
- Formal charge
- 0
Calculated properties
QED0.859
NPScore-0.29310445
SAScore6.74128051
Related databases
ChEMBL · CHEMBL509 PubChem · 4037 ChEBI · CHEBI:6710 DrugBank · DB00939 (approved, investigational, vet_approved)
- Brand names
- Meclofenamate Sodium