Molecule

ID:73793

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl
Molecular Mass
166.64734
Exact Mass
166.05492803
Charge
0
InChI
InChI=1S/C10H11Cl/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3
InChIKey
VLIILLUQCKLPLB-UHFFFAOYSA-N
Canonic Smiles
CC(=C)Cc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)CC(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9192226
LogD (pH = 7.4)
3.9192226
Log P
3.9192226
Molar Refractivity
49.4321
Polarizability
19.325966
Polar Surface Area
0.0
Rotatable Bonds
2
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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