Molecule

ID:27712

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₃S
Molecular Mass
129.18348
Exact Mass
129.03606824
Charge
0
InChI
InChI=1S/C4H7N3S/c1-3-5-6-4(8)7(3)2/h1-2H3,(H,6,8)
InChIKey
OTVCBBXLGYYSNC-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(n1C)S
Isomeric Smiles
n1(c(nnc1C)S)C
Calculated Properties
JChem
Acid pKa
7.6883674
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.015248018
LogD (pH = 7.4)
-0.15353605
Log P
0.018522114
Molar Refractivity
36.0495
Polarizability
12.877141
Polar Surface Area
30.71
Rotatable Bonds
0
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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