Molecule
ID:87114
General Information
Molecular Formula
C₁₀H₁₅ClO
Molecular Mass
186.6785
Exact Mass
186.08114278
Charge
0
InChI
InChI=1S/C10H15ClO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6H2
InChIKey
QUHCTPODJFWZRX-UHFFFAOYSA-N
Canonic Smiles
OC12CC3CC(C1)CC(C2)(C3)Cl
Isomeric Smiles
ClC12CC3(O)CC(C1)CC(C2)C3
Calculated Properties
JChem
Acid pKa
14.706195
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.53942
LogD (pH = 7.4)
1.5394199
Log P
1.53942
Molar Refractivity
48.5676
Polarizability
19.415941
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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