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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1352
CHEMBL1352
Compound Name NITRIC ACID
ChEMBL Synonyms NITRIC ACID | Nitrate (No3-)
Max Phase 3
Trade Names
Molecular Formula HNO3

Additional synonyms for CHEMBL1352 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[N+](=O)[O-]
Standard InChI InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
Standard InChI Key GRYLNZFGIOXLOG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1352

Molecule Features

CHEMBL1352 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HEART FAILURED006333EFO:0003144HEART FAILURE2ClinicalTrials
PULMONARY DISEASE, CHRONIC OBSTRUCTIVED029424EFO:0000341CHRONIC OBSTRUCTIVE PULMONARY DISEASE3ClinicalTrials
RESPIRATORY INSUFFICIENCYD012131HP:0002878RESPIRATORY FAILURE1ClinicalTrials

Clinical Data

ClinicalTrials.gov NITRIC ACID
The Cochrane Collaboration NITRIC ACID

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
63 62.9956 -1.26 0 66.05 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.77 -.77 0 4 0.28

Structural Alerts

There are 3 structural alerts for CHEMBL1352. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GRYLNZFGIOXLOG-UHFFFAOYSA-N
PubChem SID: 564240
Wikipedia Nitric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1352



ACToR 12507-77-6 10361-80-5 7697-37-2 68412-17-9 218625-70-8
Atlas nitrate 25mM nitrate
BindingDB 50152970
ChEBI 48107
eMolecules 475275
EPA CompTox Dashboard DTXSID5029685
FDA SRS 411VRN1TV4
KEGG Ligand C00244
MolPort MolPort-003-925-241
PubChem 944
PubChem: Thomson Pharma 16213746 15315360
SureChEMBL SCHEMBL234

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