Basic information
- Standard SMILES
O=C(O)CNC(=O)c1nc(S(=O)c2ccccc2)c2ccccc2c1O- InChIKey
UIUUKHDOXNLGIY-UHFFFAOYSA-N- Molecular formula
- C18H14N2O5S
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- [(1-Benzenesulfinyl-4-hydroxy-isoquinoline-3-carbonyl)-amino]-acetic acid
- IUPAC
- 2-[[1-(benzenesulfinyl)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid
Names & synonyms
SCHEMBL522208UIUUKHDOXNLGIY-UHFFFAOYSA-N[(1-Benzenesulfinyl-4-hydroxy-isoquinoline-3-carbonyl)-amino]-acetic acid
Database identifiers
- PubChem CID
- 11245663
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 552
Related reactions
9 records
Compound notes
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