Molecule

ID:68167

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl
Molecular Mass
136.5783
Exact Mass
136.00797784
Charge
0
InChI
InChI=1S/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChIKey
DGLHLIWXYSGYBI-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccccc1Cl
Isomeric Smiles
C(#C)c1c(cccc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7281258
LogD (pH = 7.4)
2.7281258
Log P
2.7281258
Molar Refractivity
36.0351
Polarizability
14.776158
Polar Surface Area
0.0
Rotatable Bonds
0
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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