Molecule

ID:14836

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂S
Molecular Mass
173.19298
Exact Mass
173.02589748
Charge
0
InChI
InChI=1S/C5H7N3O2S/c1-10-4(9)2-3-7-8-5(6)11-3/h2H2,1H3,(H2,6,8)
InChIKey
MFIQCDDQYZXHLM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1nnc(s1)N
Isomeric Smiles
c1(sc(nn1)N)CC(=O)OC
Calculated Properties
JChem
Acid pKa
14.151563
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.23519973
LogD (pH = 7.4)
-0.23519693
Log P
-0.23519681
Molar Refractivity
41.1168
Polarizability
14.867204
Polar Surface Area
78.1
Rotatable Bonds
3
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
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References
Bioactivity
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