ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15697
CHEMBL15697
Compound Name
ChEMBL Synonyms 1-Chloropropane | 1-Chloro-Propane
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

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

Structural Alerts

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

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
EPA CompTox Dashboard DTXSID3051462
FDA SRS TUV7462NWK
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
spacer