Molecule

ID:69943

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO
Molecular Mass
168.62016
Exact Mass
168.03419259
Charge
0
InChI
InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey
ADCYRBXQAJXJTD-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(CC)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
16.643478
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8354738
LogD (pH = 7.4)
2.8354738
Log P
2.8354738
Molar Refractivity
45.8925
Polarizability
17.769415
Polar Surface Area
17.07
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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