Molecule

ID:82761

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O₄S₂
Molecular Mass
301.34204
Exact Mass
301.01909785
Charge
0
InChI
InChI=1S/C10H11N3O4S2/c1-2-17-9(14)6-11-19(15,16)8-5-3-4-7-10(8)13-18-12-7/h3-5,11H,2,6H2,1H3
InChIKey
VYLHEMDLSGJXGM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNS(=O)(=O)c1cccc2c1nsn2
Isomeric Smiles
S(=O)(=O)(c1cccc2nsnc12)NCC(=O)OCC
Calculated Properties
JChem
Acid pKa
8.990723
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.92714274
LogD (pH = 7.4)
0.91753215
Log P
0.927267
Molar Refractivity
69.1973
Polarizability
28.336716
Polar Surface Area
98.25
Rotatable Bonds
5
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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