Molecule

ID:14266

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃OS
Molecular Mass
159.20946
Exact Mass
159.04663292
Charge
0
InChI
InChI=1S/C5H9N3OS/c1-3(9)8-4(2)10-5(6)7-8/h4H,1-2H3,(H2,6,7)
InChIKey
JOJTXKVVXPOYLX-UHFFFAOYSA-N
Canonic Smiles
CC1SC(=NN1C(=O)C)N
Isomeric Smiles
N1(N=C(SC1C)N)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.17276528
LogD (pH = 7.4)
-0.17224936
Log P
-0.17224278
Molar Refractivity
40.2508
Polarizability
15.431577
Polar Surface Area
58.69
Rotatable Bonds
0
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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