Molecule

ID:98483

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FNO
Molecular Mass
195.2333632
Exact Mass
195.10594229
Charge
0
InChI
InChI=1S/C11H14FNO/c1-11(2,13-8-14)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKey
GDEDYHLMZWVVBL-UHFFFAOYSA-N
Canonic Smiles
O=CNC(Cc1ccc(cc1)F)(C)C
Isomeric Smiles
O=CNC(Cc1ccc(cc1)F)(C)C
Calculated Properties
JChem
Acid pKa
15.076496
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9976764
LogD (pH = 7.4)
1.997677
Log P
1.997677
Molar Refractivity
53.5131
Polarizability
20.40375
Polar Surface Area
29.1
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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