Molecule
ID:121942
General Information
Molecular Formula
C₆HCl₂N₃O₃
Molecular Mass
233.99644
Exact Mass
232.93949627
Charge
0
InChI
InChI=1S/C6HCl2N3O3/c7-2-1-3(8)6(11(12)13)5-4(2)9-14-10-5/h1H
InChIKey
SCVFVTLATGCDGT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Cl)cc(c2c1non2)Cl
Isomeric Smiles
c12c(c(cc(c1non2)Cl)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.471342
LogD (pH = 7.4)
2.471342
Log P
2.471342
Molar Refractivity
49.0691
Polarizability
18.943886
Polar Surface Area
84.74
Rotatable Bonds
1
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
No Data Available
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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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