Molecule

ID:64393

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₃NOSn
Molecular Mass
398.16172
Exact Mass
399.15840868
Charge
0
InChI
InChI=1S/C6H6NO.3C4H9.Sn/c1-8-6-3-2-4-7-5-6;3*1-3-4-2;/h3-5H,1H3;3*1,3-4H2,2H3;
InChIKey
HLVKQYWOEUQEKJ-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cncc(c1)OC)(CCCC)CCCC
Isomeric Smiles
c1(cc(cnc1)OC)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.43119
LogD (pH = 7.4)
3.5642388
Log P
3.5663
Molar Refractivity
88.1963
Polarizability
39.377953
Polar Surface Area
22.12
Rotatable Bonds
11
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