Molecule

ID:136078

General Information
Structure
MolImage
Molecular Formula
C₆₀H₄₇F₁₈S₅Sb₃
Molecular Mass
1635.5914376
Exact Mass
1631.91083446
Charge
0
InChI
InChI=1S/C36H28S3.C24H19S2.18FH.3Sb/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;;;;;;;;;;;;;;;;;;;;;/h1-28H;1-19H;18*1H;;;/q+2;+1;;;;;;;;;;;;;;;;;;;3*+5/p-18
InChIKey
YASCSMWRFXPFOO-UHFFFAOYSA-A
Canonic Smiles
c1ccc(cc1)[S+](c1ccccc1)c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F
Isomeric Smiles
c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.c1ccc(cc1)[S+](c1ccccc1)c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.14079
LogD (pH = 7.4)
8.14079
Log P
8.14079
Molar Refractivity
170.9835
Polarizability
68.1044
Polar Surface Area
0.0
Rotatable Bonds
13
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