Molecule

ID:26280

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃OS
Molecular Mass
285.3641
Exact Mass
285.09358312
Charge
0
InChI
InChI=1S/C15H15N3OS/c1-8-4-6-11(7-5-8)12-9(2)20-14-13(12)15(19)18(16)10(3)17-14/h4-7H,16H2,1-3H3
InChIKey
PUIJVCFPPSNXQA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1c(C)sc2c1c(=O)n(c(n2)C)N
Isomeric Smiles
c12c(nc(n(c1=O)N)C)sc(c2c1ccc(cc1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2292268
LogD (pH = 7.4)
3.2299018
Log P
3.2299104
Molar Refractivity
83.3734
Polarizability
31.395908
Polar Surface Area
58.69
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