Molecule

ID:95619

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀FN₃O₃
Molecular Mass
251.2138032
Exact Mass
251.07061942
Charge
0
InChI
InChI=1S/C11H10FN3O3/c12-9-1-2-10(15(16)17)11(8(9)7-13)14-3-5-18-6-4-14/h1-2H,3-6H2
InChIKey
YOWLAWDSFKQBSL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)ccc(c1N1CCOCC1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(c(c(cc1)F)C#N)N1CCOCC1)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.8015715
LogD (pH = 7.4)
1.8015715
Log P
1.8015715
Molar Refractivity
62.8238
Polarizability
22.34281
Polar Surface Area
82.08
Rotatable Bonds
2
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
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References
Bioactivity
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