Molecule

ID:73773

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl
Molecular Mass
166.64734
Exact Mass
166.05492803
Charge
0
InChI
InChI=1S/C10H11Cl/c1-2-3-5-9-6-4-7-10(11)8-9/h2,4,6-8H,1,3,5H2
InChIKey
UZWLPNIQGFQVFP-UHFFFAOYSA-N
Canonic Smiles
C=CCCc1cccc(c1)Cl
Isomeric Smiles
Clc1cc(ccc1)CCC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.12043
LogD (pH = 7.4)
4.12043
Log P
4.12043
Molar Refractivity
49.7511
Polarizability
19.248592
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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