maleic acid   Click here for help

GtoPdb Ligand ID: 9630

PDB Ligand
Compound class: Synthetic organic
Comment: Maleic acid or cis-butenedioic acid is an organic compound that is a dicarboxylic acid, a molecule with two carboxyl groups.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 74.6
Molecular weight 116.01
XLogP -0.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(=O)C=CC(=O)O
Isomeric SMILES OC(=O)/C=C\C(=O)O
InChI InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
InChI Key VZCYOOQTPOCHFL-UPHRSURJSA-N