Molecule

ID:22252

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO
Molecular Mass
156.60946
Exact Mass
156.03419259
Charge
0
InChI
InChI=1S/C8H9ClO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChIKey
ZMZVVVASCILFJL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)Cl)C
Isomeric Smiles
c1c(cc(c(c1)C)Cl)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9330406
LogD (pH = 7.4)
2.9330406
Log P
2.9330406
Molar Refractivity
42.3672
Polarizability
16.474926
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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