Molecule

ID:111931

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-7-4-8(2)10(6-11)9(3)5-7/h7-11H,4-6H2,1-3H3
InChIKey
CRBABKUHZTZOJD-UHFFFAOYSA-N
Canonic Smiles
OCC1C(C)CC(CC1C)C
Isomeric Smiles
CC1CC(C)C(CO)C(C)C1
Calculated Properties
JChem
Acid pKa
18.269308
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4567635
LogD (pH = 7.4)
2.4567635
Log P
2.4567635
Molar Refractivity
47.6521
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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