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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16396
CHEMBL16396
Compound Name CYCLOHEXENE
ChEMBL Synonyms Cyclohexene
Max Phase 0
Trade Names
Molecular Formula C6H10

Additional synonyms for CHEMBL16396 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCC=CC1
Standard InChI InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
Standard InChI Key HGCIXCUEYOPUTN-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL16396

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
82.1 82.0783 2.29 0 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
- - 2.92 2.92 0 6 0.39

Structural Alerts

There are 1 structural alerts for CHEMBL16396. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HGCIXCUEYOPUTN-UHFFFAOYSA-N
Wikipedia Cyclohexene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16396



ACToR 15650-80-3 7493-04-1 110-83-8
ChEBI 36404
eMolecules 479854
EPA CompTox Dashboard DTXSID9038717
FDA SRS 12L0P8F7GN
IBM Patent System 79635BBA6E1D58DE35B545BC72AF1729 7583CE338DC90924B906EF001F961A23 2A2909C5865C47C1D56F59D6488D26BE
Mcule MCULE-3564016252
MolPort MolPort-001-779-794
Nikkaji J38.186A J1.464.503I J1.313.727G J1.443.311B
NMRShiftDB 10005926
PubChem 8079
PubChem: Thomson Pharma 14747342
SureChEMBL SCHEMBL3005
ZINC ZINC13950911

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