Molecule
ID:83477
General Information
Molecular Formula
C₁₀H₁₅ClO
Molecular Mass
186.6785
Exact Mass
186.08114278
Charge
0
InChI
InChI=1S/C10H15ClO/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5H2/t6?,7?,8?,9-,10?
InChIKey
SQFWORKEUYQZGS-UHATZWDWSA-N
Canonic Smiles
Cl[C@@H]1C2CC3CC1CC(C2)(C3)O
Isomeric Smiles
OC12CC3CC(C1)CC(C2)[C@@H]3Cl
Calculated Properties
JChem
Acid pKa
14.750721
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6966101
LogD (pH = 7.4)
1.6966101
Log P
1.6966101
Molar Refractivity
48.4446
Polarizability
19.415052
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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