Molecule

ID:8581

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₁NSn
Molecular Mass
368.13574
Exact Mass
369.147844
Charge
0
InChI
InChI=1S/C5H4N.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-4H;3*1,3-4H2,2H3;
InChIKey
GYUURHMITDQTRU-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccccn1)(CCCC)CCCC
Isomeric Smiles
c1cnc(cc1)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7735121
LogD (pH = 7.4)
4.491668
Log P
4.5176
Molar Refractivity
82.0466
Polarizability
36.835804
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
References
Bioactivity
Navigation