Molecule

ID:8536

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl
Molecular Mass
202.67944
Exact Mass
202.05492803
Charge
0
InChI
InChI=1S/C13H11Cl/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
IKKSPFNZXBWDQA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1Cc1ccccc1
Isomeric Smiles
c1cc(c(cc1)Cc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6690845
LogD (pH = 7.4)
4.6690845
Log P
4.6690845
Molar Refractivity
60.6
Polarizability
23.576378
Polar Surface Area
0.0
Rotatable Bonds
2
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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