Molecule

ID:79860

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-6-8-4-7(5-9(8)11)10(6,2)3/h6-8H,4-5H2,1-3H3
InChIKey
TZAXGXBLCOILBQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CC2CC1C(C2(C)C)C
Isomeric Smiles
O=C1C2C(C(C)(C)C(C2)C1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2839904
LogD (pH = 7.4)
2.2839904
Log P
2.2839904
Molar Refractivity
44.5396
Polarizability
17.763361
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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