Molecule

ID:44892

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀BrNO₃Si
Molecular Mass
370.3137
Exact Mass
369.03958204
Charge
0
InChI
InChI=1S/C15H20BrNO3Si/c1-15(2,3)20-14(18)19-13-9-11(16)10-17-12(13)7-8-21(4,5)6/h9-10H,1-6H3
InChIKey
KVRNXNSZICMLQI-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Oc1cc(Br)cnc1C#C[Si](C)(C)C
Isomeric Smiles
c1(cnc(c(c1)OC(=O)OC(C)(C)C)C#C[Si](C)(C)C)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.882788
LogD (pH = 7.4)
4.8827996
Log P
4.8828
Molar Refractivity
77.9501
Polarizability
33.95365
Polar Surface Area
48.42
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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