formalin   

GtoPdb Ligand ID: 4196

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 17.07
Molecular weight 30.01
XLogP 0.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C=O
Isomeric SMILES C=O
InChI InChI=1S/CH2O/c1-2/h1H2
InChI Key WSFSSNUMVMOOMR-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
formaldehyde
Database Links
CAS Registry No. 50-00-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1255
DrugBank Ligand DB03843
DrugCentral Ligand 3244
GtoPdb PubChem SID 178101013
PubChem CID 712
RCSB PDB Ligand FOR
Search Google for chemical match using the InChIKey WSFSSNUMVMOOMR-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey WSFSSNUMVMOOMR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WSFSSNUMVMOOMR
Wikipedia Formaldehyde