Molecule

ID:79809

General Information
Structure
MolImage
Molecular Formula
C₂H₅N₃OS
Molecular Mass
119.1456
Exact Mass
119.0153328
Charge
0
InChI
InChI=1S/C2H5N3OS/c3-2(7)5-4-1-6/h1H,(H,4,6)(H3,3,5,7)
InChIKey
KSKPFCYLLBRSBQ-UHFFFAOYSA-N
Canonic Smiles
O=CNNC(=S)N
Isomeric Smiles
S=C(NNC=O)N
Calculated Properties
JChem
Acid pKa
12.08553
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
-1.1121124
LogD (pH = 7.4)
-1.11212
Log P
-1.1121124
Molar Refractivity
29.5089
Polarizability
11.375412
Polar Surface Area
67.15
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
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Molecule Details
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References
Bioactivity
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