Molecule

ID:131196

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(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
InChIKey
BGRJTUBHPOOWDU-NSHDSACASA-N
Canonic Smiles
CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N
Isomeric Smiles
CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.70
LogD (pH = 5.5)
-2.46
Log P
0.22
Rotatable Bonds
6
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
8.39
Polar Surface Area
101.73
Polarizability
35.61
Molar Refractivity
88.63
LOG S
-2.02
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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