Molecule

ID:75356

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
InChIKey
CCOQPGVQAWPUPE-UHFFFAOYSA-N
Canonic Smiles
OC1CCC(CC1)C(C)(C)C
Isomeric Smiles
OC1CCC(C(C)(C)C)CC1
Calculated Properties
JChem
Acid pKa
18.082499
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5993474
LogD (pH = 7.4)
2.5993474
Log P
2.5993474
Molar Refractivity
47.4488
Polarizability
19.046404
Polar Surface Area
20.23
Rotatable Bonds
1
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
References
Bioactivity
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