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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3186418
CHEMBL3186418
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula KNO2

Additional synonyms for CHEMBL3186418 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].[O-]N=O
Standard InChI InChI=1S/K.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1
Standard InChI Key BXNHTSHTPBPRFX-UHFFFAOYSA-M

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3186418

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
47 47.0007 0.14 0 49.66 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.15 - -.32 -3.75 0 3 0.31

Structural Alerts

There are 7 structural alerts for CHEMBL3186418. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BXNHTSHTPBPRFX-UHFFFAOYSA-M
PubChem SID: 144211639

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3186418



ACToR 7758-09-0
Brenda 50056
ChemicalBook CB8694434
eMolecules 479994
EPA CompTox Dashboard DTXSID5042320
FDA SRS 794654G42L
MolPort MolPort-006-109-603
Nikkaji J4.518G
PubChem 516910
PubChem: Thomson Pharma 15119642
SureChEMBL SCHEMBL316

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