Molecule

ID:110500

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₄S₂
Molecular Mass
366.45512
Exact Mass
366.07079907
Charge
0
InChI
InChI=1S/C16H18N2O4S2/c19-23(20,15-7-3-1-4-8-15)17-11-13-18(14-12-17)24(21,22)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
JUQZKAOPUODWFG-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccc1
Isomeric Smiles
O=S(=O)(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1
Calculated Properties
Provided by Enamine
CLogP
2.96
H Donor
0
Polar Surface Area
74.76
Rotatable Bonds
2
JChem
Log P
1.71
LogD (pH = 7.4)
1.71
LogD (pH = 5.5)
1.71
Rotatable Bonds
2
H Donor
0
H Acceptors
4
Polar Surface Area
74.76
Molar Refractivity
92
Polarizability
36.84
Lipinski's Rule of Five
true
LOG S
-3.73
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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