Molecule

ID:95330

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FNO₄
Molecular Mass
275.2319032
Exact Mass
275.05938603
Charge
0
InChI
InChI=1S/C14H10FNO4/c1-9-3-2-4-10(7-9)14(17)20-13-8-11(15)5-6-12(13)16(18)19/h2-8H,1H3
InChIKey
LETMLITVGLLXIH-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C(=O)Oc1cc(F)ccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cc(cc1)F)OC(=O)c1cc(ccc1)C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.2307887
LogD (pH = 7.4)
4.2307887
Log P
4.2307887
Molar Refractivity
70.4432
Polarizability
25.8578
Polar Surface Area
72.12
Rotatable Bonds
4
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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