Molecule

ID:56644

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClO
Molecular Mass
212.71578
Exact Mass
212.09679284
Charge
0
InChI
InChI=1S/C12H17ClO/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChIKey
HLQSEJBREPQBRW-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC(=O)Cl)CC3CC(C2)CC(C1)C3
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8457403
LogD (pH = 7.4)
2.8457403
Log P
2.8457403
Molar Refractivity
56.796
Polarizability
22.57994
Polar Surface Area
17.07
Rotatable Bonds
2
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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