Molecule

ID:70762

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FN₂O₃
Molecular Mass
274.2471432
Exact Mass
274.07537044
Charge
0
InChI
InChI=1S/C14H11FN2O3/c1-16-13-7-6-9(17(19)20)8-11(13)14(18)10-4-2-3-5-12(10)15/h2-8,16H,1H3
InChIKey
GVXPKRIRHDRCGY-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cc1C(=O)c1ccccc1F)[N+](=O)[O-]
Isomeric Smiles
C(=O)(c1c(ccc(c1)[N+](=O)[O-])NC)c1c(cccc1)F
Calculated Properties
JChem
Acid pKa
15.04957
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.6380632
LogD (pH = 7.4)
3.6380632
Log P
3.6380632
Molar Refractivity
73.3642
Polarizability
26.532145
Polar Surface Area
72.24
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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