Molecule
ID:100360
General Information
Molecular Formula
C₈H₁₃FO₂
Molecular Mass
160.1860232
Exact Mass
160.08995788
Charge
0
InChI
InChI=1S/C8H13FO2/c1-4-11-8(10)5-6(2)7(3)9/h5,7H,4H2,1-3H3
InChIKey
KERPLVDZOZNVKR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C(/C(F)C)\C
Isomeric Smiles
O(C(=O)/C=C(\C)/C(C)F)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9258746
LogD (pH = 7.4)
1.9258746
Log P
1.9258746
Molar Refractivity
41.266
Polarizability
15.727494
Polar Surface Area
26.3
Rotatable Bonds
4
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
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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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