Molecule

ID:97090

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀FNO₃
Molecular Mass
271.2432032
Exact Mass
271.06447141
Charge
0
InChI
InChI=1S/C15H10FNO3/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(10-11)17(19)20/h1-10H
InChIKey
SJRIIEVLCFGBBR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
O=C(c1ccc(cc1)F)/C=C/c1cc(ccc1)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
16.565952
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9730115
LogD (pH = 7.4)
3.9730115
Log P
3.9730115
Molar Refractivity
74.4181
Polarizability
26.869452
Polar Surface Area
62.89
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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