Molecule

ID:65419

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄BrNSi
Molecular Mass
302.32586
Exact Mass
301.08613831
Charge
0
InChI
InChI=1S/C13H24BrNSi/c1-10(2)16(11(3)4,12(5)6)15-8-7-13(14)9-15/h7-12H,1-6H3
InChIKey
CNAUTMPRKBSDLH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccn(c1)[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
n1(cc(cc1)Br)[Si](C(C)C)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0747
LogD (pH = 7.4)
5.0747
Log P
5.0747
Molar Refractivity
73.726
Polarizability
30.237764
Polar Surface Area
4.93
Rotatable Bonds
4
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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