Molecule

ID:52441

General Information
Structure
MolImage
Molecular Formula
C₃H₉N₃S
Molecular Mass
119.18866
Exact Mass
119.0517183
Charge
0
InChI
InChI=1S/C3H9N3S/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)
InChIKey
SKYYTGUCWARUCL-UHFFFAOYSA-N
Canonic Smiles
CCNC(=S)NN
Isomeric Smiles
NNC(=S)NCC
Calculated Properties
JChem
Acid pKa
14.014237
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
-0.19956587
LogD (pH = 7.4)
-0.19007836
Log P
-0.18995595
Molar Refractivity
35.2629
Polarizability
13.393123
Polar Surface Area
50.08
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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