Molecule

ID:85193

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂
Molecular Mass
203.10828
Exact Mass
202.03160574
Charge
0
InChI
InChI=1S/C10H12Cl2/c1-7-3-8(2)10(6-12)4-9(7)5-11/h3-4H,5-6H2,1-2H3
InChIKey
JALHTPIEJQBDEN-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(CCl)c(cc1C)C
Isomeric Smiles
ClCc1cc(c(cc1C)C)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.174573
LogD (pH = 7.4)
4.174573
Log P
4.174573
Molar Refractivity
55.8742
Polarizability
21.167978
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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