Molecule

ID:85771

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2
InChIKey
VLLNJDMHDJRNFK-UHFFFAOYSA-N
Canonic Smiles
OC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
OC12CC3CC(C1)CC(C2)C3
Calculated Properties
JChem
Acid pKa
19.73935
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5728291
LogD (pH = 7.4)
1.5728294
Log P
1.5728294
Molar Refractivity
43.8781
Polarizability
17.579895
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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