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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL335900
CHEMBL335900
Compound Name NONANE
ChEMBL Synonyms Nonane | N-Nonane
Max Phase 0
Trade Names
Molecular Formula C9H20

Additional synonyms for CHEMBL335900 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCC
Standard InChI InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
Standard InChI Key BKIMMITUMNQMOS-UHFFFAOYSA-N

Structural Alerts

There are 6 structural alerts for CHEMBL335900. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL335900

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
128.3 128.1565 4.48 6 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.29 5.29 0 9 0.46

Compound Cross References

ChemSpider ChemSpider:BKIMMITUMNQMOS-UHFFFAOYSA-N
PubChem SID: 144208677 SID: 144213465 SID: 17388847
Wikipedia Nonane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL335900



ACToR 111-84-2 61193-19-9
ChEBI 32892
eMolecules 495696
FDA SRS T9W3VH6G10
Human Metabolome Database HMDB29595
IBM Patent System 1808E66DE955CE8FE1AC8E591A3827B5
Nikkaji J34.957G
NMRShiftDB 10006098
PDBe DD9
PubChem 8141
PubChem: Thomson Pharma 15218962
SureChEMBL SCHEMBL23798
ZINC ZINC01698517

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