Molecule

ID:86602

General Information
Structure
Molecular Formula
C₁₆H₂₀N₂S
Molecular Mass
272.4084
Exact Mass
272.13471965
Charge
0
InChI
InChI=1S/C16H20N2S/c1-12-5-7-13(8-6-12)11-19-14-9-17-15(18-10-14)16(2,3)4/h5-10H,11H2,1-4H3
InChIKey
BDHMORLTTRGWMX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CSc1cnc(nc1)C(C)(C)C
Isomeric Smiles
n1c(ncc(c1)SCc1ccc(cc1)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0987396
LogD (pH = 7.4)
5.098772
Log P
5.0987725
Molar Refractivity
83.511
Polarizability
32.10587
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