Molecule

ID:11931

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂O
Molecular Mass
218.2269432
Exact Mass
218.0855412
Charge
0
InChI
InChI=1S/C12H11FN2O/c1-15(2)8-10(7-14)12(16)9-3-5-11(13)6-4-9/h3-6,8H,1-2H3/b10-8+
InChIKey
VPGVIOPQYFIUQQ-CSKARUKUSA-N
Canonic Smiles
CN(/C=C(/C(=O)c1ccc(cc1)F)\C#N)C
Isomeric Smiles
C(#N)/C(=C\N(C)C)/C(=O)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8296236
LogD (pH = 7.4)
1.8297799
Log P
1.8297819
Molar Refractivity
60.083
Polarizability
21.8428
Polar Surface Area
44.1
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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