Molecule

ID:79111

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃ClN₂OS
Molecular Mass
328.81592
Exact Mass
328.04371173
Charge
0
InChI
InChI=1S/C17H13ClN2OS/c18-16-15(22-12-13-7-3-1-4-8-13)11-19-20(17(16)21)14-9-5-2-6-10-14/h1-11H,12H2
InChIKey
SRBNYWJSFPWEON-UHFFFAOYSA-N
Canonic Smiles
O=c1c(Cl)c(SCc2ccccc2)cnn1c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(=O)c(c(SCc2ccccc2)cn1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2638416
LogD (pH = 7.4)
4.2638416
Log P
4.2638416
Molar Refractivity
92.8337
Polarizability
34.994846
Polar Surface Area
32.67
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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