Molecule

ID:114461

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆ClFN₂O₄
Molecular Mass
284.6277432
Exact Mass
284.00001258
Charge
0
InChI
InChI=1S/C11H6ClFN2O4/c12-7-3-5(1-2-8(7)13)15-9(16)6(10(17)18)4-14-11(15)19/h1-4H,(H,14,19)(H,17,18)
InChIKey
NUTUXZQYAIADHT-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1F)n1c(=O)[nH]cc(c1=O)C(=O)O
Isomeric Smiles
n1(c(=O)c(c[nH]c1=O)C(=O)O)c1cc(c(cc1)F)Cl
Calculated Properties
JChem
Acid pKa
2.5538785
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4867493
LogD (pH = 7.4)
-2.1494665
Log P
1.3603332
Molar Refractivity
61.7391
Polarizability
23.395826
Polar Surface Area
86.71
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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