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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15697
CHEMBL15697
Compound Name
ChEMBL Synonyms 1-Chloro-Propane | 1-Chloropropane
Max Phase 0
Trade Names
Molecular Formula C3H7Cl

Additional synonyms for CHEMBL15697 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCl
Standard InChI InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
Standard InChI Key SNMVRZFUUCLYTO-UHFFFAOYSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL15697. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL15697

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
78.5 78.0236 1.72 1 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
- - 2.13 2.13 0 4 0.42

Compound Cross References

ChemSpider ChemSpider:SNMVRZFUUCLYTO-UHFFFAOYSA-N
Wikipedia N-Propyl_chloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15697



ACToR 540-54-5
eMolecules 475129
FDA SRS TUV7462NWK
IBM Patent System D3214734F5F6ADA9753D3968DD1C15BD
Mcule MCULE-3496412829
MolPort MolPort-000-872-097
Nikkaji J2.635B
NMRShiftDB 10005624
PubChem 10899
PubChem: Thomson Pharma 14915917
SureChEMBL SCHEMBL8731

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