Molecule

ID:88922

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO₂
Molecular Mass
172.60886
Exact Mass
172.02910721
Charge
0
InChI
InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKey
WQHNWJBSROXROL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)cc(c1)Cl
Isomeric Smiles
Clc1cc(cc(c1)OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2619479
LogD (pH = 7.4)
2.2619479
Log P
2.2619479
Molar Refractivity
43.7892
Polarizability
17.254726
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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