Molecule

ID:19310

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-9(2)7-8-6(11-3)5(4-10)12-7/h4H,1-3H3
InChIKey
BFWSWWYUZQFTTD-UHFFFAOYSA-N
Canonic Smiles
COc1nc(sc1C=O)N(C)C
Isomeric Smiles
n1c(sc(c1OC)C=O)N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7060604
LogD (pH = 7.4)
1.7060605
Log P
1.7060605
Molar Refractivity
48.3131
Polarizability
17.448055
Polar Surface Area
42.43
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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