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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1491920
CHEMBL1491920
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H18

Additional synonyms for CHEMBL1491920 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCC2CCCCC2C1
Standard InChI InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
Standard InChI Key NNBZCPXTIHJBJL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1491920

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
138.3 138.1409 3.37 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
- - 4.82 4.82 0 10 0.48

Structural Alerts

There are no structural alerts for CHEMBL1491920

Compound Cross References

ChemSpider ChemSpider:NNBZCPXTIHJBJL-UHFFFAOYSA-N
PubChem SID: 144207420 SID: 17389070 SID: 49736282

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1491920



ACToR 91-17-8 493-01-6 493-02-7 38113-45-0
ChEBI 38853
ChemicalBook CB6333241
eMolecules 478588
EPA CompTox Dashboard DTXSID1024912
IBM Patent System 08805B94F1DCF61A246D793F6725B62F
MolPort MolPort-001-793-907
Nikkaji J4.335D
NMRShiftDB 10016399
PubChem 7044
PubChem: Thomson Pharma 15219066
SureChEMBL SCHEMBL22724
ZINC ZINC000008585868

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