Molecule

ID:125968

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₄S
Molecular Mass
230.241
Exact Mass
230.03612781
Charge
0
InChI
InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
InChIKey
VGPYEHKOIGNJKV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)NS(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
O=S(=O)(c1ccc(N)cc1)NC(=O)OC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.58
LogD (pH = 5.5)
-0.43
Log P
0.36
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.28
Polar Surface Area
98.49
Polarizability
21.63
Molar Refractivity
54.11
LOG S
-1.60
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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