Molecule

ID:63476

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClO
Molecular Mass
166.60428
Exact Mass
166.01854252
Charge
0
InChI
InChI=1S/C9H7ClO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKey
MYCZDIIPHIGLCH-UHFFFAOYSA-N
Canonic Smiles
O=C1CCc2c1cccc2Cl
Isomeric Smiles
c1cc2C(=O)CCc2c(Cl)c1
Calculated Properties
JChem
Acid pKa
15.641603
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4406006
LogD (pH = 7.4)
2.4406006
Log P
2.4406006
Molar Refractivity
44.5305
Polarizability
17.043926
Polar Surface Area
17.07
Rotatable Bonds
0
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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