Molecule

ID:86687

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂N₃OS
Molecular Mass
300.16378
Exact Mass
298.96868822
Charge
0
InChI
InChI=1S/C11H7Cl2N3OS/c12-8-4-6(5-9(13)15-8)10(14)16-11(17)7-2-1-3-18-7/h1-5H,(H2,14,16,17)
InChIKey
OAENAUFOMMICBM-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)C(=N)NC(=O)c1cccs1
Isomeric Smiles
N(C(=N)c1cc(nc(c1)Cl)Cl)C(=O)c1cccs1
Calculated Properties
JChem
Acid pKa
12.6723995
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.022872
LogD (pH = 7.4)
3.0229795
Log P
3.022983
Molar Refractivity
84.31
Polarizability
27.098936
Polar Surface Area
65.84
Rotatable Bonds
2
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