Molecule

ID:64391

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀ClNSn
Molecular Mass
402.5808
Exact Mass
403.10887165
Charge
0
InChI
InChI=1S/C5H3ClN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKey
HYTTVKRGUYTJLN-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(nc1)Cl)(CCCC)CCCC
Isomeric Smiles
n1c(ccc([Sn](CCCC)(CCCC)CCCC)c1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7076626
LogD (pH = 7.4)
4.7076993
Log P
4.7077
Molar Refractivity
87.5992
Polarizability
38.81043
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