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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3560381
CHEMBL3560381
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula CH6N2O2

Additional synonyms for CHEMBL3560381 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [NH4+].NC(=O)[O-]
Standard InChI InChI=1S/CH3NO2.H3N/c2-1(3)4;/h2H2,(H,3,4);1H3
Standard InChI Key BVCZEBOGSOYJJT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3560381

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
61 61.0164 -0.38 0 63.32 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 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 - -1.01 -3.55 0 4 0.4

Structural Alerts

There are 1 structural alerts for CHEMBL3560381. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BVCZEBOGSOYJJT-UHFFFAOYSA-N
PubChem SID: 144212826

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3560381



ACToR 1111-78-0
ChemicalBook CB9494286
eMolecules 881850 477353
EPA CompTox Dashboard DTXSID9027360
FDA SRS I2W9615SWP
MolPort MolPort-006-112-929 MolPort-003-925-654
PubChem 517232 12550248
PubChem: Thomson Pharma 15170362
SureChEMBL SCHEMBL49149

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