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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3184026
CHEMBL3184026
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula CH6N2O3

Additional synonyms for CHEMBL3184026 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)N.OO
Standard InChI InChI=1S/CH4N2O.H2O2/c2-1(3)4;1-2/h(H4,2,3,4);1-2H
Standard InChI Key AQLJVWUFPCUVLO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3184026

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
60.1 60.0324 -0.98 0 69.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 3 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .1 -1.66 -1.66 0 4 0.37

Structural Alerts

There are no structural alerts for CHEMBL3184026

Compound Cross References

ChemSpider ChemSpider:AQLJVWUFPCUVLO-UHFFFAOYSA-N
PubChem SID: 144212768

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3184026



ACToR 12263-76-2
ChEBI 75178
DrugBank DB11129
eMolecules 475799
EPA CompTox Dashboard DTXSID9024726
FDA SRS 31PZ2VAU81
MolPort MolPort-003-925-380
PubChem 31294
PubChem: Thomson Pharma 15218694
SureChEMBL SCHEMBL42148

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