Molecule

ID:68541

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂O₃S
Molecular Mass
148.14046
Exact Mass
147.994263
Charge
0
InChI
InChI=1S/C3H4N2O3S/c4-3-8-1-2(9-3)5(6)7/h1,3H,4H2
InChIKey
OVXZRYLYTVBQIZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)C1=COC(S1)N
Isomeric Smiles
S1C(OC=C1[N+](=O)[O-])N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.008827448
LogD (pH = 7.4)
1.1059558
Log P
1.1758165
Molar Refractivity
30.7861
Polarizability
12.6783085
Polar Surface Area
81.07
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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