Molecule

ID:79615

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO
Molecular Mass
168.62016
Exact Mass
168.03419259
Charge
0
InChI
InChI=1S/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
InChIKey
AVTLLLZVYYPGFX-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)C(=O)Cl
Isomeric Smiles
O=C(c1ccc(cc1)CC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1221485
LogD (pH = 7.4)
3.1221485
Log P
3.1221485
Molar Refractivity
46.8149
Polarizability
17.675184
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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