Molecule

ID:65803

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄BrNOSi
Molecular Mass
330.33596
Exact Mass
329.08105293
Charge
0
InChI
InChI=1S/C14H24BrNOSi/c1-14(2,3)18(4,5)17-10-9-11-12(15)7-6-8-13(11)16/h6-8H,9-10,16H2,1-5H3
InChIKey
DMZIWLYAHCJKEC-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1CCO[Si](C(C)(C)C)(C)C)Br
Isomeric Smiles
c1cc(c(c(c1)Br)CCO[Si](C)(C)C(C)(C)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3313656
LogD (pH = 7.4)
4.335053
Log P
4.3351
Molar Refractivity
79.8002
Polarizability
32.46231
Polar Surface Area
35.25
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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