Molecule

ID:89767

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₃S
Molecular Mass
129.18348
Exact Mass
129.03606824
Charge
0
InChI
InChI=1S/C4H7N3S/c1-2-5-4-7-6-3-8-4/h3H,2H2,1H3,(H,5,7)
InChIKey
PINNQKFNRKECFX-UHFFFAOYSA-N
Canonic Smiles
CCNc1nncs1
Isomeric Smiles
s1c(nnc1)NCC
Calculated Properties
JChem
Acid pKa
13.897317
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.26212156
LogD (pH = 7.4)
0.2621278
Log P
0.262128
Molar Refractivity
35.8049
Polarizability
12.122212
Polar Surface Area
37.81
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
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References
Bioactivity
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