Molecule

ID:108381

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂N₃O₅
Molecular Mass
280.02182
Exact Mass
278.94497557
Charge
0
InChI
InChI=1S/C7H3Cl2N3O5/c8-4-2(7(10)13)1-3(11(14)15)5(9)6(4)12(16)17/h1H,(H2,10,13)
InChIKey
UBMOQSTZFCSCEV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(C(=O)N)c(c(c1Cl)[N+](=O)[O-])Cl
Isomeric Smiles
NC(=O)c1c(Cl)c(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
11.445337
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.9119443
LogD (pH = 7.4)
1.9119787
Log P
1.9119438
Molar Refractivity
59.395397
Polarizability
21.315615
Polar Surface Area
134.73
Rotatable Bonds
3
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
References
Bioactivity
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