Molecule

ID:44859

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉BrN₂O₂Si
Molecular Mass
401.41386
Exact Mass
400.11816671
Charge
0
InChI
InChI=1S/C17H29BrN2O2Si/c1-16(2,3)15(21)20-13-9-12(10-19-14(13)18)11-22-23(7,8)17(4,5)6/h9-10H,11H2,1-8H3,(H,20,21)
InChIKey
JWXIXHCQKKRIAJ-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc(cc1NC(=O)C(C)(C)C)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc(c(c1)NC(=O)C(C)(C)C)Br)CO[Si](C(C)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
11.678696
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.133396
LogD (pH = 7.4)
5.1333776
Log P
5.1334
Molar Refractivity
97.5955
Polarizability
39.160854
Polar Surface Area
51.22
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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