Molecule

ID:8557

General Information
Structure
MolImage
Molecular Formula
C₃₄H₅₁F₂NSn
Molecular Mass
630.4732464
Exact Mass
631.30115108
Charge
0
InChI
InChI=1S/C16H36N.3C6H5.2FH.Sn/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3*1-2-4-6-5-3-1;;;/h5-16H2,1-4H3;3*1-5H;2*1H;/q+1;;;;;;+1/p-2
InChIKey
ODMXVCNGZGLSRS-UHFFFAOYSA-L
Canonic Smiles
F[Sn-](c1ccccc1)(c1ccccc1)(c1ccccc1)F.CCCC[N+](CCCC)(CCCC)CCCC
Isomeric Smiles
c1([Sn-](c2ccccc2)(c2ccccc2)(F)F)ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9916
LogD (pH = 7.4)
4.9916
Log P
4.9916
Molar Refractivity
79.4255
Polarizability
34.634083
Polar Surface Area
0.0
Rotatable Bonds
15
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