Molecule

ID:43387

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₄S
Molecular Mass
190.17714
Exact Mass
190.00482768
Charge
0
InChI
InChI=1S/C5H6N2O4S/c1-3-2-4(5(8)9)7-12(10,11)6-3/h2,7H,1H3,(H,8,9)
InChIKey
IIOHXCGZBROKMG-UHFFFAOYSA-N
Canonic Smiles
CC1=NS(=O)(=O)NC(=C1)C(=O)O
Isomeric Smiles
S1(=O)(=O)NC(=CC(=N1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1067722
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.7507923
LogD (pH = 7.4)
-4.8132763
Log P
-1.3901749
Molar Refractivity
40.5596
Polarizability
15.7922
Polar Surface Area
95.83
Rotatable Bonds
1
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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