Molecule

ID:90447

General Information
Structure
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
InChIKey
QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Canonic Smiles
OCCC(CCC=C(C)C)C
Isomeric Smiles
OCCC(CCC=C(C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.75
LogD (pH = 5.5)
2.75
Log P
2.75
Rotatable Bonds
5
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.88
Polar Surface Area
20.23
Polarizability
20.37
Molar Refractivity
50.49
LOG S
-2.61
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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