Molecule

ID:87558

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl
Molecular Mass
168.66322
Exact Mass
168.0705781
Charge
0
InChI
InChI=1S/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChIKey
SKNUPXIXICTRJE-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.424418
LogD (pH = 7.4)
4.424418
Log P
4.424418
Molar Refractivity
49.707
Polarizability
19.482256
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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