Molecule
ID:114127
General Information
Molecular Formula
C₁₃H₁₁FN₂O₄
Molecular Mass
278.2358432
Exact Mass
278.07028506
Charge
0
InChI
InChI=1S/C13H11FN2O4/c1-2-20-13(19)12-10(17)7-11(18)16(15-12)9-5-3-8(14)4-6-9/h3-7,17H,2H2,1H3
InChIKey
ZUYNPOMQPVLCSK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c2ccc(cc2)F)c(=O)cc1O
Isomeric Smiles
n1c(c(cc(=O)n1c1ccc(cc1)F)O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
4.282397
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.93520623
LogD (pH = 7.4)
-0.79949546
Log P
2.176244
Molar Refractivity
68.6081
Polarizability
25.370127
Polar Surface Area
79.2
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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