Molecule

ID:106973

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂
Molecular Mass
187.06582
Exact Mass
186.00030562
Charge
0
InChI
InChI=1S/C9H8Cl2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5H2
InChIKey
ZIVBBZXNYVLXTP-UHFFFAOYSA-N
Canonic Smiles
ClC1C(Cl)Cc2c1cccc2
Isomeric Smiles
ClC1Cc2ccccc2C1Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3844004
LogD (pH = 7.4)
3.3844004
Log P
3.3844004
Molar Refractivity
47.9182
Polarizability
18.689606
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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