Molecule

ID:42482

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂O₂
Molecular Mass
260.2636232
Exact Mass
260.09610589
Charge
0
InChI
InChI=1S/C14H13FN2O2/c15-12-3-1-2-10(8-12)9-19-13-6-4-11(5-7-13)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKey
JBMGTWZQHYDEAX-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)OCc1cccc(c1)F
Isomeric Smiles
C(=O)(c1ccc(OCc2cc(F)ccc2)cc1)NN
Calculated Properties
JChem
Acid pKa
14.497688
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2359684
LogD (pH = 7.4)
2.2369022
Log P
2.2369142
Molar Refractivity
70.9127
Polarizability
26.3664
Polar Surface Area
64.35
Rotatable Bonds
4
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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