Molecule

ID:74162

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O₂S
Molecular Mass
148.18352
Exact Mass
148.03064851
Charge
0
InChI
InChI=1S/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3
InChIKey
YQFHPXZGXNYYLD-UHFFFAOYSA-N
Canonic Smiles
CN/C(=C\[N+](=O)[O-])/SC
Isomeric Smiles
N(/C(=C\[N+](=O)[O-])/SC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.90775996
LogD (pH = 7.4)
0.9078007
Log P
0.9078012
Molar Refractivity
46.7461
Polarizability
14.043041
Polar Surface Area
57.85
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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