Molecule

ID:135804

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂FNO
Molecular Mass
229.2495832
Exact Mass
229.09029223
Charge
0
InChI
InChI=1S/C14H12FNO/c1-17-14-4-2-3-11(9-14)10-16-13-7-5-12(15)6-8-13/h2-10H,1H3
InChIKey
LTYSYYBPLPAZGI-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)/C=N/c1ccc(cc1)F
Isomeric Smiles
COc1cccc(c1)/C=N/c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8321636
LogD (pH = 7.4)
3.8325326
Log P
3.8325374
Molar Refractivity
68.0672
Polarizability
24.624739
Polar Surface Area
21.59
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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