Molecule
ID:107009
General Information
Molecular Formula
C₉H₁₆O₂
Molecular Mass
156.22214
Exact Mass
156.11502975
Charge
0
InChI
InChI=1S/C9H16O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-6H2,1-3H3
InChIKey
ZBTHMAVIHNEVLH-UHFFFAOYSA-N
Canonic Smiles
CCOC(C#CCC)OCC
Isomeric Smiles
CCOC(OCC)C#CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6261497
LogD (pH = 7.4)
2.6261497
Log P
2.6261497
Molar Refractivity
45.9728
Polarizability
17.591846
Polar Surface Area
18.46
Rotatable Bonds
6
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
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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
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Bioactivity
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