Molecule

ID:86916

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO
Molecular Mass
168.62016
Exact Mass
168.03419259
Charge
0
InChI
InChI=1S/C9H9ClO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3
InChIKey
WFNKMVDATNLZBX-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc(c1C)C
Isomeric Smiles
O=C(c1c(c(ccc1)C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1910012
LogD (pH = 7.4)
3.1910012
Log P
3.1910012
Molar Refractivity
47.2551
Polarizability
17.600811
Polar Surface Area
17.07
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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