Molecule

ID:55612

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂S
Molecular Mass
277.21326
Exact Mass
276.02547482
Charge
0
InChI
InChI=1S/C11H12N2S.2ClH/c1-12-7-10-8-13-11(14-10)9-5-3-2-4-6-9;;/h2-6,8,12H,7H2,1H3;2*1H
InChIKey
PGSQDUMVCMZTEG-UHFFFAOYSA-N
Canonic Smiles
CNCc1cnc(s1)c1ccccc1.Cl.Cl
Isomeric Smiles
c1(ncc(s1)CNC)c1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.64497066
LogD (pH = 7.4)
0.8878578
Log P
2.3475971
Molar Refractivity
69.4001
Polarizability
23.601522
Polar Surface Area
24.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
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