Molecule

ID:42941

General Information
Structure
Molecular Formula
C₁₄H₇FN₂O₄
Molecular Mass
286.2147832
Exact Mass
286.03898493
Charge
0
InChI
InChI=1S/C14H7FN2O4/c15-11-6-5-8(17(20)21)7-12(11)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-7H
InChIKey
ZFKGQGVYTBHFNT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1N1C(=O)c2c(C1=O)cccc2)[N+](=O)[O-]
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)c1cc([N+](=O)[O-])ccc1F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6577437
LogD (pH = 7.4)
2.6577437
Log P
2.6577437
Molar Refractivity
71.5302
Polarizability
25.766016
Polar Surface Area
83.2
Rotatable Bonds
2
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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