Molecule

ID:93451

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNO₂
Molecular Mass
219.2117032
Exact Mass
219.06955679
Charge
0
InChI
InChI=1S/C12H10FNO2/c1-2-16-12(15)10(8-14)7-9-3-5-11(13)6-4-9/h3-7H,2H2,1H3
InChIKey
OSTPLWBGNXWIBG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C(=C\c1ccc(cc1)F)/C#N
Isomeric Smiles
O(C(=O)/C(=C\c1ccc(cc1)F)/C#N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.826682
LogD (pH = 7.4)
2.826682
Log P
2.826682
Molar Refractivity
57.8476
Polarizability
21.506104
Polar Surface Area
50.09
Rotatable Bonds
4
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
References
Bioactivity
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