Molecule

ID:125600

General Information
Structure
MolImage
Molecular Formula
C₄H₉N₃S
Molecular Mass
131.19936
Exact Mass
131.0517183
Charge
0
InChI
InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey
FQUDPIIGGVBZEQ-UHFFFAOYSA-N
Canonic Smiles
NC(=S)NN=C(C)C
Isomeric Smiles
S=C(N)NN=C(C)C
Calculated Properties
JChem
Acid pKa
11.745679
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.08340364
LogD (pH = 7.4)
0.085782126
Log P
0.085816
Molar Refractivity
37.7854
Polarizability
14.536392
Polar Surface Area
50.41
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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