Molecule

ID:65125

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₁NSSn
Molecular Mass
388.19004
Exact Mass
389.119915
Charge
0
InChI
InChI=1S/C4H4NS.3C4H9.Sn/c1-4-5-2-3-6-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKey
QBVDGHNBPOLJIZ-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(s1)C)(CCCC)CCCC
Isomeric Smiles
s1c(cnc1C)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6764815
LogD (pH = 7.4)
3.6883464
Log P
3.6885
Molar Refractivity
82.699
Polarizability
37.32576
Polar Surface Area
12.89
Rotatable Bonds
10
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