Molecule

ID:15743

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₅S
Molecular Mass
328.384
Exact Mass
328.10929275
Charge
0
InChI
InChI=1S/C14H18N2O.H2O4S/c17-14(12-5-3-8-15-10-12)16-9-7-11-4-1-2-6-13(11)16;1-5(2,3)4/h1-2,4,6,12,15H,3,5,7-10H2;(H2,1,2,3,4)
InChIKey
QZOLMFTYBVNQTK-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.O=C(N1CCc2c1cccc2)C1CCCNC1
Isomeric Smiles
N1CC(CCC1)C(=O)N1CCc2c1cccc2.O=S(=O)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.811535
LogD (pH = 7.4)
-0.7926813
Log P
1.3743961
Molar Refractivity
67.6241
Polarizability
26.325693
Polar Surface Area
32.34
Rotatable Bonds
1
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