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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL125278
CHEMBL125278
Compound Name CARBAMIC ACID
ChEMBL Synonyms Carbamic Acid
Max Phase 0
Trade Names
Molecular Formula CH3NO2

Additional synonyms for CHEMBL125278 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)O
Standard InChI InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
Standard InChI Key KXDHJXZQYSOELW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL125278

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
61 61.0164 -0.42 0 63.32 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.89 - -1.02 -3.55 0 4 0.4

Structural Alerts

There are 1 structural alerts for CHEMBL125278. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KXDHJXZQYSOELW-UHFFFAOYSA-N
Wikipedia Carbamic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL125278



ACToR 463-77-4 302-11-4
BindingDB 50369454
Brenda 131284 108977
ChEBI 28616
DrugBank DB04261
EPA CompTox Dashboard DTXSID5048009
FDA SRS O0UC6XOS4H
Human Metabolome Database HMDB0003551
KEGG Ligand C01563
Metabolights MTBLC28616
PDBe OUT
PubChem 18358786 57418154 277
PubChem: Thomson Pharma 15146262
SureChEMBL SCHEMBL2
ZINC ZINC000008383199

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KXDHJXZQYSOELW-UHFFFAOYSA-N spacer
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