Molecule

ID:64387

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;/h1-3H;3*1,3-4H2,2H3;
InChIKey
SRBYIFPGENOZFS-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cccc(n1)Cl)(CCCC)CCCC
Isomeric Smiles
n1c([Sn](CCCC)(CCCC)CCCC)cccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4060774
LogD (pH = 7.4)
5.406297
Log P
5.4063
Molar Refractivity
87.9127
Polarizability
38.80994
Polar Surface Area
12.89
Rotatable Bonds
10
Lipinski's Rule of Five
false
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