Molecule

ID:58716

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₄S
Molecular Mass
322.37942
Exact Mass
322.09872807
Charge
0
InChI
InChI=1S/C15H18N2O4S/c18-14-12-6-2-3-7-13(12)15(19)17(14)10-11-22(20,21)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-11H2
InChIKey
XXJZMAPQYRMERJ-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCS(=O)(=O)N2CCCCC2)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCS(=O)(=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.6602321
LogD (pH = 7.4)
0.6602321
Log P
0.6602321
Molar Refractivity
82.3686
Polarizability
31.684216
Polar Surface Area
74.76
Rotatable Bonds
3
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
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References
Bioactivity
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