Molecule

ID:69904

General Information
Structure
Molecular Formula
C₈H₅Cl
Molecular Mass
136.5783
Exact Mass
136.00797784
Charge
0
InChI
InChI=1S/C8H5Cl/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChIKey
GRBJPHPMYOUMJV-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cccc(c1)Cl
Isomeric Smiles
C(#C)c1cc(ccc1)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
14.765339
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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