Basic information
- Standard SMILES
O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12- InChIKey
KRYYLQKIPMTRNQ-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O3
- Average molar mass
- 342.8 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indazole-3-carboxylic acid
- IUPAC
- 6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indazole-3-carboxylic acid
Names & synonyms
6-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indazole-3-carboxylic acid6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1h-indazole-3-carboxylic acidCHEMBL3936111SCHEMBL15300664KRYYLQKIPMTRNQ-UHFFFAOYSA-NBDBM238017DS-001607US9394285, 1031467059-01-3
Database identifiers
- PubChem CID
- 86698802
- ChEMBL
CHEMBL3936111
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 491
Related reactions
2 records
Compound notes
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