Molecule

ID:111795

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClI
Molecular Mass
218.46379
Exact Mass
217.93592594
Charge
0
InChI
InChI=1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2
InChIKey
JXOSPTBRSOYXGC-UHFFFAOYSA-N
Canonic Smiles
ClCCCCI
Isomeric Smiles
ClCCCCI
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6936
LogD (pH = 7.4)
2.6936
Log P
2.6936
Molar Refractivity
38.3978
Polarizability
15.1270075
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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