Molecule

ID:116089

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₄S₂
Molecular Mass
300.35398
Exact Mass
300.02384887
Charge
0
InChI
InChI=1S/C11H12N2O4S2/c1-13(6-10(14)15)11-12-8-4-3-7(19(2,16)17)5-9(8)18-11/h3-5H,6H2,1-2H3,(H,14,15)
InChIKey
MNTLCOOQWNCZTF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(c1nc2c(s1)cc(cc2)S(=O)(=O)C)C
Isomeric Smiles
c1(nc2c(s1)cc(S(=O)(=O)C)cc2)N(CC(=O)O)C
Calculated Properties
JChem
Acid pKa
3.5700836
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.7230875
LogD (pH = 7.4)
-2.1369004
Log P
1.0748947
Molar Refractivity
71.1188
Polarizability
28.864843
Polar Surface Area
87.57
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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