Molecule

ID:134821

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈FNO
Molecular Mass
213.2071232
Exact Mass
213.0589921
Charge
0
InChI
InChI=1S/C13H8FNO/c14-12-5-3-10(4-6-12)11(9-15)8-13-2-1-7-16-13/h1-8H
InChIKey
MUWUPWITGWTNAK-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C\c1ccco1)/c1ccc(cc1)F
Isomeric Smiles
c1cc(oc1)/C=C(\C#N)/c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.231738
LogD (pH = 7.4)
3.231738
Log P
3.231738
Molar Refractivity
59.0986
Polarizability
21.709206
Polar Surface Area
36.93
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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