formamide   Click here for help

GtoPdb Ligand ID: 4739

PDB Ligand
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 43.09
Molecular weight 45.02
XLogP -1.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC=O
Isomeric SMILES NC=O
InChI InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
InChI Key ZHNUHDYFZUAESO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
formamide
Database Links Click here for help
CAS Registry No. 75-12-7 (source: Scifinder)
ChEBI CHEBI:16397
ChEMBL Ligand CHEMBL266160
GtoPdb PubChem SID 178101450
PubChem CID 713
RCSB PDB Ligand ARF
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Wikipedia Formamide