Molecule

ID:84379

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂N₂S₂
Molecular Mass
307.26238
Exact Mass
305.98189575
Charge
0
InChI
InChI=1S/C11H12Cl2N2S2/c12-9-5-8(6-10(13)14-9)7-17-11(16)15-3-1-2-4-15/h5-6H,1-4,7H2
InChIKey
XIXPWNLQUBLKHU-UHFFFAOYSA-N
Canonic Smiles
S=C(N1CCCC1)SCc1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)CSC(=S)N1CCCC1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.138118
LogD (pH = 7.4)
4.138118
Log P
4.138118
Molar Refractivity
81.9476
Polarizability
31.28466
Polar Surface Area
16.13
Rotatable Bonds
3
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