Molecule

ID:111741

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO
Molecular Mass
168.62016
Exact Mass
168.03419259
Charge
0
InChI
InChI=1S/C9H9ClO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-6H,1H2,2H3
InChIKey
CRAOBURVAGEXIS-UHFFFAOYSA-N
Canonic Smiles
CC(=C)Oc1ccccc1Cl
Isomeric Smiles
CC(=C)Oc1ccccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.996633
LogD (pH = 7.4)
2.996633
Log P
2.996633
Molar Refractivity
46.8373
Polarizability
18.166105
Polar Surface Area
9.23
Rotatable Bonds
2
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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