Molecule

ID:118237

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₂S
Molecular Mass
293.38456
Exact Mass
293.11979786
Charge
0
InChI
InChI=1S/C14H19N3O2S/c1-18-11-2-3-12-13(10-11)20-14(16-12)15-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,15,16)
InChIKey
CWFPAZAYRXASCT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)sc(n2)NCCN1CCOCC1
Isomeric Smiles
c1(nc2c(s1)cc(cc2)OC)NCCN1CCOCC1
Calculated Properties
JChem
Acid pKa
15.189329
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.9632629
LogD (pH = 7.4)
1.8717855
Log P
1.9129727
Molar Refractivity
80.3526
Polarizability
31.798658
Polar Surface Area
46.62
Rotatable Bonds
5
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