Molecule

ID:102769

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃O₅S
Molecular Mass
207.1646
Exact Mass
206.99499128
Charge
0
InChI
InChI=1S/C4H5N3O5S/c8-3-2(7-13(10,11)12)1-5-4(9)6-3/h1,7H,(H,10,11,12)(H2,5,6,8,9)
InChIKey
ZZRMMIWUJLCXPF-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c(=O)[nH]cc1NS(=O)(=O)O
Isomeric Smiles
OS(=O)(=O)Nc1c[nH]c(=O)[nH]c1=O
Calculated Properties
JChem
Acid pKa
-1.5341839
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-4.683069
LogD (pH = 7.4)
-4.690134
Log P
-2.3065894
Molar Refractivity
39.8783
Polarizability
15.9452505
Polar Surface Area
124.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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