Molecule

ID:65197

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₁ClN₂Sn
Molecular Mass
441.61684
Exact Mass
442.11977068
Charge
0
InChI
InChI=1S/C7H4ClN2.3C4H9.Sn/c8-6-1-2-7-9-3-4-10(7)5-6;3*1-3-4-2;/h1-3,5H;3*1,3-4H2,2H3;
InChIKey
HCWOHDIKRRIJIS-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc2n1cc(Cl)cc2)(CCCC)CCCC
Isomeric Smiles
c1c(cn2c(c1)ncc2[Sn](CCCC)(CCCC)CCCC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4965858
LogD (pH = 7.4)
4.452376
Log P
4.5853
Molar Refractivity
97.8265
Polarizability
42.61804
Polar Surface Area
17.3
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