Molecule

ID:20422

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄FNO
Molecular Mass
267.2975632
Exact Mass
267.10594229
Charge
0
InChI
InChI=1S/C17H14FNO/c18-16-10-14(19)8-9-17(16)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11,19H2
InChIKey
FMKPLNMNUUDZRZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)OCc1cccc2c1cccc2
Isomeric Smiles
c1(cc(N)ccc1OCc1c2c(ccc1)cccc2)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8261857
LogD (pH = 7.4)
3.8430808
Log P
3.8433003
Molar Refractivity
78.5008
Polarizability
30.750353
Polar Surface Area
35.25
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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