Basic information
- Standard SMILES
Cc1nnnn1-c1ccc(C(=CC2CCCC2)C(=O)O)cc1Cl- InChIKey
FNOYGXWVJJAALB-UHFFFAOYSA-N- Molecular formula
- C16H17ClN4O2
- Average molar mass
- 332.78 g/mol
Names & identifiers
- Preferred name
- 2-[3-Chloro-4-(5-methyltetrazol-1-yl)phenyl]-3-cyclopentylprop-2-enoic acid
- IUPAC
- 2-[3-chloro-4-(5-methyltetrazol-1-yl)phenyl]-3-cyclopentylprop-2-enoic acid
Names & synonyms
SCHEMBL6174778
Database identifiers
- PubChem CID
- 69691985
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Related reactions
2 records
Compound notes
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