2-Fluoro-5-(4-oxo-3,4,5,6,7,8-hexahydro-phthalazin-1-ylmethyl)-benzoic acid
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Basic information
- Standard SMILES
O=C(O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F- InChIKey
GANAAPUWKMQPJU-UHFFFAOYSA-N- Molecular formula
- C16H15FN2O3
- Average molar mass
- 302.3 g/mol
Names & identifiers
- Preferred name
- 2-Fluoro-5-(4-oxo-3,4,5,6,7,8-hexahydro-phthalazin-1-ylmethyl)-benzoic acid
- IUPAC
- 2-fluoro-5-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]benzoic acid
Names & synonyms
SCHEMBL2210014CHEMBL3954651GANAAPUWKMQPJU-UHFFFAOYSA-N2-fluoro-5-((4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)methyl)benzoic acid2-Fluoro-5-(4-oxo-3,4,5,6,7,8-hexahydro-phthalazin-1-ylmethyl)-benzoic acid
Database identifiers
- PubChem CID
- 25005019
- ChEMBL
CHEMBL3954651
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 556
Related reactions
5 records
Compound notes
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