Molecule

ID:31418

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂FNO
Molecular Mass
205.2281832
Exact Mass
205.09029223
Charge
0
InChI
InChI=1S/C12H12FNO/c1-8(2)14-6-9(7-15)11-4-3-10(13)5-12(11)14/h3-8H,1-2H3
InChIKey
ORXCWMDOFNELQL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1ccc(c2)F)C(C)C
Isomeric Smiles
n1(c2c(c(c1)C=O)ccc(c2)F)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.924271
LogD (pH = 7.4)
2.924271
Log P
2.924271
Molar Refractivity
58.009
Polarizability
22.522322
Polar Surface Area
22.0
Rotatable Bonds
2
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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