Molecule

ID:86601

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂S
Molecular Mass
286.43498
Exact Mass
286.15036971
Charge
0
InChI
InChI=1S/C17H22N2S/c1-12-7-6-8-14(9-12)11-20-15-10-18-16(17(3,4)5)19-13(15)2/h6-10H,11H2,1-5H3
InChIKey
MGIUJTHEPPOXFQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CSc1cnc(nc1C)C(C)(C)C
Isomeric Smiles
n1c(c(cnc1C(C)(C)C)SCc1cc(ccc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.299155
LogD (pH = 7.4)
5.299496
Log P
5.2995005
Molar Refractivity
88.1025
Polarizability
33.871155
Polar Surface Area
25.78
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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