Basic information
- Standard SMILES
Cc1cccc(C)c1Cn1nc(C)c2ccc(CC(=O)O)cc21- InChIKey
VPCKVRLDBHIBOT-UHFFFAOYSA-N- Molecular formula
- C19H20N2O2
- Average molar mass
- 308.4 g/mol
Names & identifiers
- Preferred name
- 2-[1-(2,6-dimethylbenzyl)-3-methyl-1H-indazole-6-yl]acetic acid
- IUPAC
- 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]acetic acid
Names & synonyms
CHEMBL3691989SCHEMBL11976670VPCKVRLDBHIBOT-UHFFFAOYSA-NBDBM152012US8987473, 662-[1-(2,6-dimethylbenzyl)-3-methyl-1H-indazole-6-yl]acetic acid
Database identifiers
- PubChem CID
- 60152008
- ChEMBL
CHEMBL3691989
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Related reactions
1 records
Compound notes
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