Molecule

ID:83063

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₃N₃O₅
Molecular Mass
356.54662
Exact Mass
354.95295341
Charge
0
InChI
InChI=1S/C10H8Cl3N3O5/c11-5-6(12)8(14-1-3-21-4-2-14)10(16(19)20)9(7(5)13)15(17)18/h1-4H2
InChIKey
HOWTYDXCKXGSPP-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(N2CCOCC2)c(Cl)c(c(c1[N+](=O)[O-])Cl)Cl
Isomeric Smiles
[N+](=O)(c1c(c(c(c(c1N1CCOCC1)Cl)Cl)Cl)[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
3.5548916
LogD (pH = 7.4)
3.5548916
Log P
3.5548916
Molar Refractivity
78.6249
Polarizability
28.768938
Polar Surface Area
104.11
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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