Molecule

ID:52266

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl
Molecular Mass
202.67944
Exact Mass
202.05492803
Charge
0
InChI
InChI=1S/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
HLQZCRVEEQKNMS-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(ccc(cc1)CCl)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.207713
LogD (pH = 7.4)
4.207713
Log P
4.207713
Molar Refractivity
61.0611
Polarizability
25.023273
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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