Molecule

ID:14023

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃S
Molecular Mass
269.3647
Exact Mass
269.0986685
Charge
0
InChI
InChI=1S/C15H15N3S/c1-11-5-4-8-15-17-12(9-18(11)15)10-19-14-7-3-2-6-13(14)16/h2-9H,10,16H2,1H3
InChIKey
JICUJUBWALVWFU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1SCc1cn2c(n1)cccc2C
Isomeric Smiles
n12c(nc(c1)CSc1c(cccc1)N)cccc2C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6216635
LogD (pH = 7.4)
2.2338142
Log P
2.2530131
Molar Refractivity
82.7834
Polarizability
30.682674
Polar Surface Area
43.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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