Molecule

ID:103929

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃O₄S
Molecular Mass
341.42582
Exact Mass
341.14092723
Charge
0
InChI
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(22-2)6-7-14(13)23(16,20)21/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKey
KRSITCLIUSFUOQ-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNC(=O)c1cc(OC)ccc1S(=O)(=O)N
Isomeric Smiles
CCN1CCCC1CNC(=O)c1cc(OC)ccc1S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
9.784888
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.4804885
LogD (pH = 7.4)
-0.7205378
Log P
0.17637691
Molar Refractivity
88.6331
Polarizability
34.696705
Polar Surface Area
101.73
Rotatable Bonds
6
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
References
Bioactivity
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