Molecule

ID:9955

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl
Molecular Mass
168.66322
Exact Mass
168.0705781
Charge
0
InChI
InChI=1S/C10H13Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3
InChIKey
CYAKWEQUWJAHLW-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)C(C)C
Isomeric Smiles
c1c(ccc(c1)CCl)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8054972
LogD (pH = 7.4)
3.8054972
Log P
3.8054972
Molar Refractivity
50.1157
Polarizability
19.434477
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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