Molecule

ID:96035

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₂FNO₄
Molecular Mass
337.3012832
Exact Mass
337.07503609
Charge
0
InChI
InChI=1S/C19H12FNO4/c20-15-5-1-13(2-6-15)18(22)11-9-17-10-12-19(25-17)14-3-7-16(8-4-14)21(23)24/h1-12H
InChIKey
LERQDSBWHWLNER-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)c1ccc(o1)/C=C/C(=O)c1ccc(cc1)F)[O-]
Calculated Properties
JChem
Acid pKa
15.134903
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.6004844
LogD (pH = 7.4)
4.6004844
Log P
4.6004844
Molar Refractivity
91.8227
Polarizability
34.66411
Polar Surface Area
76.03
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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