Molecule

ID:8021

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁Cl
Molecular Mass
190.66874
Exact Mass
190.05492803
Charge
0
InChI
InChI=1S/C12H11Cl/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7H,8H2,1H3
InChIKey
QHXSBKTZBDHBKF-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(c2c1cccc2)C
Isomeric Smiles
c1ccc2c(ccc(c2c1)CCl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.063386
LogD (pH = 7.4)
4.063386
Log P
4.063386
Molar Refractivity
57.4163
Polarizability
23.32259
Polar Surface Area
0.0
Rotatable Bonds
1
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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