Molecule

ID:58715

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₄S
Molecular Mass
254.2624
Exact Mass
254.03612781
Charge
0
InChI
InChI=1S/C10H10N2O4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2,(H2,11,15,16)
InChIKey
XHVSGSRXJIQTLS-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCS(=O)(=O)N)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCS(=O)(=O)N
Calculated Properties
JChem
Acid pKa
11.201051
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6374869
LogD (pH = 7.4)
-0.63754696
Log P
-0.63748616
Molar Refractivity
60.4332
Polarizability
23.274326
Polar Surface Area
97.54
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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