Molecule

ID:83060

General Information
Structure
Molecular Formula
C₁₁H₆Cl₂N₂O₄S₂
Molecular Mass
365.21234
Exact Mass
363.91460404
Charge
0
InChI
InChI=1S/C11H6Cl2N2O4S2/c12-7-3-1-6(2-4-7)5-20-11-9(15(18)19)8(14(16)17)10(13)21-11/h1-4H,5H2
InChIKey
MMZDLKRGOGOJAN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CSc1sc(c(c1[N+](=O)[O-])[N+](=O)[O-])Cl
Isomeric Smiles
s1c(c(c(c1Cl)[N+](=O)[O-])[N+](=O)[O-])SCc1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.42265
LogD (pH = 7.4)
5.42265
Log P
5.42265
Molar Refractivity
83.1633
Polarizability
31.381653
Polar Surface Area
91.64
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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