Molecule

ID:30117

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO
Molecular Mass
156.60946
Exact Mass
156.03419259
Charge
0
InChI
InChI=1S/C8H9ClO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKey
HXYXVFUUHSZSNV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CC2CC1C=C2
Isomeric Smiles
C1(C2C=CC(C1)C2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7273082
LogD (pH = 7.4)
1.7273082
Log P
1.7273082
Molar Refractivity
41.515
Polarizability
15.71376
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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