Molecule

ID:31532

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FNO
Molecular Mass
217.2388832
Exact Mass
217.09029223
Charge
0
InChI
InChI=1S/C13H12FNO/c14-13-7-2-1-4-10(13)9-16-12-6-3-5-11(15)8-12/h1-8H,9,15H2
InChIKey
XCZQQCWDSILDHL-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)OCc1ccccc1F
Isomeric Smiles
c1(c(F)cccc1)COc1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8464823
LogD (pH = 7.4)
2.8537304
Log P
2.8538237
Molar Refractivity
62.0506
Polarizability
23.224403
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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