Molecule

ID:85705

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO
Molecular Mass
168.62016
Exact Mass
168.03419259
Charge
0
InChI
InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
MFEILWXBDBCWKF-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CCc1ccccc1
Isomeric Smiles
ClC(=O)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5888925
LogD (pH = 7.4)
2.5888925
Log P
2.5888925
Molar Refractivity
45.8251
Polarizability
17.777365
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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