Molecule

ID:87685

General Information
Structure
MolImage
Molecular Formula
C₃H₂N₂O₂S
Molecular Mass
130.12518
Exact Mass
129.98369831
Charge
0
InChI
InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-2-8-3/h1-2H
InChIKey
VVVCJCRUFSIVHI-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cncs1
Isomeric Smiles
s1cncc1[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.73801875
LogD (pH = 7.4)
0.73801875
Log P
0.73801875
Molar Refractivity
27.751
Polarizability
10.2386
Polar Surface Area
58.71
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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