Molecule

ID:121753

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClO
Molecular Mass
198.6892
Exact Mass
198.08114278
Charge
0
InChI
InChI=1S/C11H15ClO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2
InChIKey
MIBQYWIOHFTKHD-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(C(=O)Cl)CC3CC(C1)CC(C2)C3
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.913106
LogD (pH = 7.4)
2.913106
Log P
2.913106
Molar Refractivity
52.2468
Polarizability
20.744286
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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