Molecule

ID:115290

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₄OS
Molecular Mass
300.37874
Exact Mass
300.10448215
Charge
0
InChI
InChI=1S/C15H16N4OS/c1-3-20-12-6-4-11(5-7-12)13-9-21-15(17-13)19-14(16)8-10(2)18-19/h4-9H,3,16H2,1-2H3
InChIKey
LUKKSIHMEMEFBL-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)c1csc(n1)n1nc(cc1N)C
Isomeric Smiles
n1(c2nc(cs2)c2ccc(cc2)OCC)c(cc(n1)C)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.0200071
LogD (pH = 7.4)
3.025978
Log P
3.0260546
Molar Refractivity
83.6226
Polarizability
32.716286
Polar Surface Area
65.96
Rotatable Bonds
4
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