Molecule

ID:26514

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N₃OS
Molecular Mass
263.35858
Exact Mass
263.10923318
Charge
0
InChI
InChI=1S/C13H17N3OS/c1-8-15-12-11(13(17)16(8)14)9-6-4-2-3-5-7-10(9)18-12/h2-7,14H2,1H3
InChIKey
YNPXGWCOZHDOCP-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2sc3c(c2c(=O)n1N)CCCCCC3
Isomeric Smiles
c12c(nc(n(c1=O)N)C)sc1c2CCCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8961713
LogD (pH = 7.4)
2.8972204
Log P
2.8972337
Molar Refractivity
74.762
Polarizability
27.109554
Polar Surface Area
58.69
Rotatable Bonds
0
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