Molecule

ID:52414

General Information
Structure
MolImage
Molecular Formula
C₃H₉N₃S
Molecular Mass
119.18866
Exact Mass
119.0517183
Charge
0
InChI
InChI=1S/C3H9N3S/c1-6(2)3(7)5-4/h4H2,1-2H3,(H,5,7)
InChIKey
FCPHVJQWZFNNKD-UHFFFAOYSA-N
Canonic Smiles
NNC(=S)N(C)C
Isomeric Smiles
NNC(=S)N(C)C
Calculated Properties
JChem
Acid pKa
15.171953
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.33259675
LogD (pH = 7.4)
-0.32320887
Log P
-0.32308784
Molar Refractivity
35.411
Polarizability
13.393534
Polar Surface Area
41.29
Rotatable Bonds
0
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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