Molecule

ID:10674

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl
Molecular Mass
176.64216
Exact Mass
176.03927797
Charge
0
InChI
InChI=1S/C11H9Cl/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKey
MPCHQYWZAVTABQ-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc2c(c1)cccc2
Isomeric Smiles
c1ccc2c(c1)cc(cc2)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5499647
LogD (pH = 7.4)
3.5499647
Log P
3.5499647
Molar Refractivity
52.3751
Polarizability
21.557781
Polar Surface Area
0.0
Rotatable Bonds
1
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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