Molecule

ID:57764

General Information
Structure
Molecular Formula
C₁₄H₁₃N₃O₅S₂
Molecular Mass
367.40012
Exact Mass
367.02966253
Charge
0
InChI
InChI=1S/C14H13N3O5S2/c1-22-10-6-8-11(9-7-10)23(18,19)17-15-14-12-4-2-3-5-13(12)24(20,21)16-14/h2-9,17H,1H3,(H,15,16)
InChIKey
HWXJTKMCUNVJCB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)S(=O)(=O)NNC1=NS(=O)(=O)c2c1cccc2
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)NNS(=O)(=O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
10.21807
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
0.9938665
LogD (pH = 7.4)
0.9984664
Log P
0.99381596
Molar Refractivity
97.9454
Polarizability
34.92671
Polar Surface Area
113.93
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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