Molecule

ID:68099

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₃S
Molecular Mass
244.31064
Exact Mass
244.08816338
Charge
0
InChI
InChI=1S/C10H16N2O3S/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14)/t7-/m1/s1
InChIKey
IORITYIZDHJCGT-SSDOTTSWSA-N
Canonic Smiles
COc1ccc(cc1S(=O)(=O)N)C[C@H](N)C
Isomeric Smiles
c1(c(ccc(c1)C[C@@H](C)N)OC)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
9.508388
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.761494
LogD (pH = 7.4)
-2.1244907
Log P
-0.34571606
Molar Refractivity
62.3263
Polarizability
25.117987
Polar Surface Area
95.41
Rotatable Bonds
4
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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