Molecule

ID:45227

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂N₂O₄
Molecular Mass
251.02366
Exact Mass
249.95481198
Charge
0
InChI
InChI=1S/C7H4Cl2N2O4/c1-15-7(12)3-2-10-6(9)5(4(3)8)11(13)14/h2H,1H3
InChIKey
WEVGYEXAMYIOMD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(c(c1Cl)[N+](=O)[O-])Cl
Isomeric Smiles
c1([N+](=O)[O-])c(c(C(=O)OC)cnc1Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.127301
LogD (pH = 7.4)
2.127301
Log P
2.127301
Molar Refractivity
53.922
Polarizability
20.003859
Polar Surface Area
85.01
Rotatable Bonds
3
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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