Molecule

ID:64145

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₂N₂SSn
Molecular Mass
415.21538
Exact Mass
416.13081403
Charge
0
InChI
InChI=1S/C5H5N2S.3C4H9.Sn/c1-8-5-6-3-2-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKey
PTONZGYJJBJAGZ-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccnc(n1)SC)(CCCC)CCCC
Isomeric Smiles
n1c([Sn](CCCC)(CCCC)CCCC)ccnc1SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.03124
LogD (pH = 7.4)
5.031892
Log P
5.0319
Molar Refractivity
93.5727
Polarizability
40.88899
Polar Surface Area
25.78
Rotatable Bonds
11
Lipinski's Rule of Five
false
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