Molecule

ID:39587

General Information
Structure
Molecular Formula
C₁₁H₁₂FNO
Molecular Mass
193.2174832
Exact Mass
193.09029223
Charge
0
InChI
InChI=1S/C11H12FNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-8H,1-2H3/b8-7+
InChIKey
GTJNUCRUOWBWEW-BQYQJAHWSA-N
Canonic Smiles
CN(/C=C/C(=O)c1ccc(cc1)F)C
Isomeric Smiles
C(=C\N(C)C)/C(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.455439
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0179226
LogD (pH = 7.4)
2.017923
Log P
2.017923
Molar Refractivity
55.0294
Polarizability
20.138773
Polar Surface Area
20.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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