Molecule

ID:26324

General Information
Structure
Molecular Formula
C₈H₁₀N₂O₃S
Molecular Mass
214.2416
Exact Mass
214.04121319
Charge
0
InChI
InChI=1S/C8H10N2O3S/c1-3-4(8(12)13-2)7(10)14-5(3)6(9)11/h10H2,1-2H3,(H2,9,11)
InChIKey
VHKVKXQMRTVIML-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(N)sc(c1C)C(=O)N
Isomeric Smiles
c1(c(sc(c1C)C(=O)N)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
14.368373
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2407358
LogD (pH = 7.4)
1.2407359
Log P
1.2407359
Molar Refractivity
52.9531
Polarizability
19.32629
Polar Surface Area
95.41
Rotatable Bonds
3
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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