Molecule

ID:58454

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl
Molecular Mass
214.69014
Exact Mass
214.05492803
Charge
0
InChI
InChI=1S/C14H11Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKey
TTYKTMUIQGPMMH-VOTSOKGWSA-N
Canonic Smiles
Clc1ccc(cc1)/C=C/c1ccccc1
Isomeric Smiles
c1ccc(cc1)/C=C/c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9171314
LogD (pH = 7.4)
4.9171314
Log P
4.9171314
Molar Refractivity
66.3176
Polarizability
25.42005
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
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References
Bioactivity
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