Molecule

ID:8847

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl
Molecular Mass
140.61006
Exact Mass
140.03927797
Charge
0
InChI
InChI=1S/C8H9Cl/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey
NVLHGZIXTRYOKT-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)cccc1Cl
Isomeric Smiles
c1cc(c(c(c1)C)C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6041334
LogD (pH = 7.4)
3.6041334
Log P
3.6041334
Molar Refractivity
40.9452
Polarizability
15.717661
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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