Molecule

ID:73775

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂
Molecular Mass
187.06582
Exact Mass
186.00030562
Charge
0
InChI
InChI=1S/C9H8Cl2/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6H,1,5H2
InChIKey
HVCGFGCJDDMLBY-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)Cc1cccc(c1)Cl
Isomeric Smiles
Clc1cccc(c1)CC(=C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.756717
LogD (pH = 7.4)
3.756717
Log P
3.756717
Molar Refractivity
50.0203
Polarizability
19.295603
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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