Molecule

ID:44935

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈BrClN₂OSi
Molecular Mass
419.85952
Exact Mass
418.08427974
Charge
0
InChI
InChI=1S/C17H28BrClN2OSi/c1-17(2,3)23(4,5)22-12-13-6-7-21(10-13)11-14-8-15(18)9-20-16(14)19/h8-9,13H,6-7,10-12H2,1-5H3
InChIKey
XZWUVOOFVKMADR-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)CN1CCC(C1)CO[Si](C(C)(C)C)(C)C)Cl
Isomeric Smiles
c1(cnc(c(c1)CN1CCC(C1)CO[Si](C(C)(C)C)(C)C)Cl)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.225083
LogD (pH = 7.4)
4.405131
Log P
4.4917
Molar Refractivity
99.6233
Polarizability
40.64151
Polar Surface Area
25.36
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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