Molecule

ID:86382

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl
Molecular Mass
174.71086
Exact Mass
174.11752829
Charge
0
InChI
InChI=1S/C10H19Cl/c1-10(2)8-6-4-3-5-7-9-11/h1,3-9H2,2H3
InChIKey
BKSRRDDOTAXJBI-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCCCC(=C)C
Isomeric Smiles
ClCCCCCCCC(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.32213
LogD (pH = 7.4)
4.32213
Log P
4.32213
Molar Refractivity
52.517
Polarizability
20.728935
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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