Molecule

ID:136607

General Information
Structure
Molecular Formula
C₃₄H₃₆F₂S₂Si₂
Molecular Mass
602.9474464
Exact Mass
602.17650266
Charge
0
InChI
InChI=1S/C34H36F2S2Si2/c1-7-39(8-2,9-3)15-13-25-27-17-23-19-33(35)38-32(23)22-30(27)26(14-16-40(10-4,11-5)12-6)28-18-24-20-34(36)37-31(24)21-29(25)28/h17-22H,7-12H2,1-6H3
InChIKey
AEOCOSISEQLPHY-UHFFFAOYSA-N
Canonic Smiles
CC[Si](C#Cc1c2cc3sc(cc3cc2c(c2c1cc1cc(sc1c2)F)C#C[Si](CC)(CC)CC)F)(CC)CC
Isomeric Smiles
CC[Si](CC)(CC)C#Cc1c2cc3cc(sc3cc2c(c2c1cc1c(c2)cc(s1)F)C#C[Si](CC)(CC)CC)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
11.079
LogD (pH = 7.4)
11.079
Log P
11.079
Molar Refractivity
153.6512
Polarizability
70.18938
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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