Molecule

ID:20440

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FNO
Molecular Mass
217.2388832
Exact Mass
217.09029223
Charge
0
InChI
InChI=1S/C13H12FNO/c1-9-4-2-3-5-12(9)16-13-7-6-10(15)8-11(13)14/h2-8H,15H2,1H3
InChIKey
HQXCROVUUPIRBJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)Oc1ccccc1C
Isomeric Smiles
O(c1c(cc(N)cc1)F)c1c(C)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2969453
LogD (pH = 7.4)
3.3006825
Log P
3.3007305
Molar Refractivity
62.2568
Polarizability
23.208965
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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