Molecule

ID:81388

General Information
Structure
MolImage
Molecular Formula
C₅H₂N₂O₂S
Molecular Mass
154.14658
Exact Mass
153.98369831
Charge
0
InChI
InChI=1S/C5H2N2O2S/c6-2-4-1-5(7(8)9)10-3-4/h1,3H
InChIKey
NACMZLGGHMPMKQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1csc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(cs1)C#N)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7157642
LogD (pH = 7.4)
1.7157642
Log P
1.7157642
Molar Refractivity
34.3658
Polarizability
12.888088
Polar Surface Area
66.93
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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