Molecule

ID:83059

General Information
Structure
Molecular Formula
C₁₀H₅ClN₂O₄S₂
Molecular Mass
316.7407
Exact Mass
315.93792633
Charge
0
InChI
InChI=1S/C10H5ClN2O4S2/c11-9-7(12(14)15)8(13(16)17)10(19-9)18-6-4-2-1-3-5-6/h1-5H
InChIKey
UHMUUEOMSKRVMD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Sc2ccccc2)sc(c1[N+](=O)[O-])Cl
Isomeric Smiles
s1c(c(c(c1Cl)[N+](=O)[O-])[N+](=O)[O-])Sc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.7584424
LogD (pH = 7.4)
4.7584424
Log P
4.7584424
Molar Refractivity
73.6219
Polarizability
27.597076
Polar Surface Area
91.64
Rotatable Bonds
4
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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