Molecule

ID:59221

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂FNO
Molecular Mass
157.1853832
Exact Mass
157.09029223
Charge
0
InChI
InChI=1S/C8H12FNO/c9-4-1-8(7-10)2-5-11-6-3-8/h1-6H2
InChIKey
YJTZOPAISSUDSZ-UHFFFAOYSA-N
Canonic Smiles
FCCC1(CCOCC1)C#N
Isomeric Smiles
C1COCCC1(CCF)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7106051
LogD (pH = 7.4)
0.7106051
Log P
0.7106051
Molar Refractivity
39.7123
Polarizability
15.030361
Polar Surface Area
33.02
Rotatable Bonds
2
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
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References
Bioactivity
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