Molecule
ID:118993
General Information
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-8-4-5-10(3,7-11)9(2)6-8/h8-9,11H,4-7H2,1-3H3
InChIKey
REGYHIGUVRNVAW-UHFFFAOYSA-N
Canonic Smiles
OCC1(C)CCC(CC1C)C
Isomeric Smiles
C1(C(CC(CC1)C)C)(CO)C
Calculated Properties
JChem
Acid pKa
18.542425
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5477452
LogD (pH = 7.4)
2.5477452
Log P
2.5477452
Molar Refractivity
47.5016
Polarizability
19.046404
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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