Molecule

ID:86578

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅ClN₂O₃S
Molecular Mass
362.8306
Exact Mass
362.04919103
Charge
0
InChI
InChI=1S/C17H15ClN2O3S/c1-2-23-17(22)15(21)16(24-12-8-4-3-5-9-12)20-19-14-11-7-6-10-13(14)18/h3-11,19H,2H2,1H3
InChIKey
LTWABKIAUMBKDN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)/C(=N/Nc1ccccc1Cl)/Sc1ccccc1
Isomeric Smiles
N(=C(\C(=O)C(=O)OCC)/Sc1ccccc1)/Nc1ccccc1Cl
Calculated Properties
JChem
Acid pKa
9.897953
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.9921355
LogD (pH = 7.4)
5.9908004
Log P
5.992153
Molar Refractivity
96.8348
Polarizability
36.78722
Polar Surface Area
67.76
Rotatable Bonds
8
Lipinski's Rule of Five
false
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