Molecule

ID:40811

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀FNO₂
Molecular Mass
231.2224032
Exact Mass
231.06955679
Charge
0
InChI
InChI=1S/C13H10FNO2/c14-11-5-7-12(8-6-11)17-13-4-2-1-3-10(13)9-15-16/h1-9,16H/b15-9+
InChIKey
QWFPFUYGALRYMA-OQLLNIDSSA-N
Canonic Smiles
O/N=C/c1ccccc1Oc1ccc(cc1)F
Isomeric Smiles
c1(c(/C=N/O)cccc1)Oc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
6.82655
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3182642
LogD (pH = 7.4)
2.6687648
Log P
3.338217
Molar Refractivity
62.9209
Polarizability
23.566858
Polar Surface Area
41.82
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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