Molecule

ID:20458

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO
Molecular Mass
231.2654632
Exact Mass
231.10594229
Charge
0
InChI
InChI=1S/C14H14FNO/c1-9-5-10(2)7-12(6-9)17-14-4-3-11(16)8-13(14)15/h3-8H,16H2,1-2H3
InChIKey
COYUBUYMBPDIEU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)Oc1cc(C)cc(c1)C
Isomeric Smiles
c1(c(cc(N)cc1)F)Oc1cc(cc(c1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.810008
LogD (pH = 7.4)
3.8140993
Log P
3.8141518
Molar Refractivity
67.298
Polarizability
24.97179
Polar Surface Area
35.25
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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