Molecule

ID:44215

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FNO₄
Molecular Mass
275.2319032
Exact Mass
275.05938603
Charge
0
InChI
InChI=1S/C14H10FNO4/c15-12-4-1-10(2-5-12)9-20-14-6-3-11(8-17)7-13(14)16(18)19/h1-8H,9H2
InChIKey
WMXZCHIRDDTONT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)[N+](=O)[O-])OCc1ccc(cc1)F
Isomeric Smiles
c1(c(ccc(c1)C=O)OCc1ccc(cc1)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.335236
LogD (pH = 7.4)
3.335236
Log P
3.335236
Molar Refractivity
71.2589
Polarizability
25.939116
Polar Surface Area
72.12
Rotatable Bonds
5
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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