Molecule

ID:78423

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClO
Molecular Mass
194.65744
Exact Mass
194.04984265
Charge
0
InChI
InChI=1S/C11H11ClO/c12-10(13)11(7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
SVSUIHVKXBTVBI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1(CCC1)c1ccccc1
Isomeric Smiles
ClC(=O)C1(c2ccccc2)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.224167
LogD (pH = 7.4)
3.224167
Log P
3.224167
Molar Refractivity
53.0984
Polarizability
20.73012
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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