Molecule

ID:115319

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₄S
Molecular Mass
322.37942
Exact Mass
322.09872807
Charge
0
InChI
InChI=1S/C15H18N2O4S/c1-2-21-15(18)11-7-9-17(10-8-11)14-12-5-3-4-6-13(12)22(19,20)16-14/h3-6,11H,2,7-10H2,1H3
InChIKey
IXQYLXWVHWRYMB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)N1CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.1815995
LogD (pH = 7.4)
1.1819322
Log P
1.1819365
Molar Refractivity
82.3424
Polarizability
32.24978
Polar Surface Area
76.04
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation