Molecule

ID:44964

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₃Si
Molecular Mass
306.43228
Exact Mass
306.13996911
Charge
0
InChI
InChI=1S/C15H22N2O3Si/c1-15(2,3)21(4,5)19-10-12-7-13-14(20-12)6-11(8-16-13)9-17-18/h6-9,18H,10H2,1-5H3/b17-9+
InChIKey
VPKWSHMFLOHATG-RQZCQDPDSA-N
Canonic Smiles
O/N=C/c1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)/C=N/O
Calculated Properties
JChem
Acid pKa
9.045178
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.841484
LogD (pH = 7.4)
2.832127
Log P
2.8418
Molar Refractivity
79.3174
Polarizability
33.577675
Polar Surface Area
67.85
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
No Data Available
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Molecule Details
References
Bioactivity
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