Molecule

ID:36768

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₈N₂O₂S
Molecular Mass
386.46622
Exact Mass
386.10889883
Charge
0
InChI
InChI=1S/C23H18N2O2S/c26-22-21(24-23(28)25(22)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)27-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,24,28)/b21-15+
InChIKey
YWQQQLJWDMNUCR-RCCKNPSSSA-N
Canonic Smiles
SC1=N/C(=C/c2ccc(cc2)OCc2ccccc2)/C(=O)N1c1ccccc1
Isomeric Smiles
N1(C(=N/C(=C/c2ccc(OCc3ccccc3)cc2)/C1=O)S)c1ccccc1
Calculated Properties
JChem
Acid pKa
6.061837
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.3622856
LogD (pH = 7.4)
4.5108976
Log P
5.459058
Molar Refractivity
114.1263
Polarizability
43.522385
Polar Surface Area
41.9
Rotatable Bonds
5
Lipinski's Rule of Five
false
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