Molecule

ID:64744

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3,8H2,1-2H3
InChIKey
HNDBOQZBZYRXMF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc(sc1N)C
Isomeric Smiles
s1c(c(nc1C)C(=O)OCC)N
Calculated Properties
JChem
Acid pKa
16.47223
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2881962
LogD (pH = 7.4)
1.2883072
Log P
1.2883086
Molar Refractivity
45.9693
Polarizability
17.385494
Polar Surface Area
65.21
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
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Molecule Details
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References
Bioactivity
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