Molecule

ID:31988

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₃S
Molecular Mass
129.18348
Exact Mass
129.03606824
Charge
0
InChI
InChI=1S/C4H7N3S/c1-3-4(2-5)8-7-6-3/h2,5H2,1H3
InChIKey
UOKUAYFZVFKNIE-UHFFFAOYSA-N
Canonic Smiles
NCc1snnc1C
Isomeric Smiles
n1nc(c(s1)CN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3126957
LogD (pH = 7.4)
-0.6240116
Log P
-0.048438538
Molar Refractivity
33.205
Polarizability
12.426049
Polar Surface Area
51.8
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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