Molecule

ID:101227

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆BrNSi
Molecular Mass
352.38454
Exact Mass
351.10178837
Charge
0
InChI
InChI=1S/C17H26BrNSi/c1-12(2)20(13(3)4,14(5)6)19-11-10-15-16(18)8-7-9-17(15)19/h7-14H,1-6H3
InChIKey
ZXHMUQVMGJYGAV-UHFFFAOYSA-N
Canonic Smiles
CC([Si](n1ccc2c1cccc2Br)(C(C)C)C(C)C)C
Isomeric Smiles
n1(c2c(cc1)c(Br)ccc2)[Si](C(C)C)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.1693
LogD (pH = 7.4)
6.1693
Log P
6.1693
Molar Refractivity
90.0537
Polarizability
37.68435
Polar Surface Area
4.93
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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