Molecule

ID:10679

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Cl₂
Molecular Mass
189.0817
Exact Mass
188.01595568
Charge
0
InChI
InChI=1S/C9H10Cl2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7H2
InChIKey
FYUVHLUSUWWUPY-UHFFFAOYSA-N
Canonic Smiles
ClCCCc1ccc(cc1)Cl
Isomeric Smiles
c1c(ccc(c1)CCCCl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8977625
LogD (pH = 7.4)
3.8977625
Log P
3.8977625
Molar Refractivity
50.0857
Polarizability
19.453466
Polar Surface Area
0.0
Rotatable Bonds
3
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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