Molecule

ID:89629

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂S
Molecular Mass
263.18668
Exact Mass
262.00982475
Charge
0
InChI
InChI=1S/C10H10N2S.2ClH/c11-6-8-3-4-9(12-7-8)10-2-1-5-13-10;;/h1-5,7H,6,11H2;2*1H
InChIKey
FWNBHEVGWIALSL-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)c1cccs1.Cl.Cl
Isomeric Smiles
n1c(ccc(c1)CN)c1cccs1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2446939
LogD (pH = 7.4)
-0.029806172
Log P
1.6915655
Molar Refractivity
54.0286
Polarizability
22.439375
Polar Surface Area
38.91
Rotatable Bonds
2
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