Molecule

ID:10952

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O₂S₂
Molecular Mass
283.36982
Exact Mass
283.04491867
Charge
0
InChI
InChI=1S/C11H13N3O2S2/c1-8-2-4-9(5-3-8)18(15,16)7-6-10-13-14-11(12)17-10/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKey
CFYGMOYWXOCYTD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)CCc1nnc(s1)N
Isomeric Smiles
n1nc(sc1CCS(=O)(=O)c1ccc(cc1)C)N
Calculated Properties
JChem
Acid pKa
14.176883
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.1441836
LogD (pH = 7.4)
1.1441873
Log P
1.1441875
Molar Refractivity
73.1637
Polarizability
27.62249
Polar Surface Area
85.94
Rotatable Bonds
4
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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