Molecule

ID:51557

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉FN₂O₂Si
Molecular Mass
340.5082632
Exact Mass
340.19823293
Charge
0
InChI
InChI=1S/C17H29FN2O2Si/c1-17(2,3)23(4,5)22-12-13-8-9-20(10-13)15-7-6-14(11-21)16(18)19-15/h6-7,13,21H,8-12H2,1-5H3
InChIKey
JQQKGDLNCOVUEI-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(nc1F)N1CCC(C1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(c(nc(cc1)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)F)CO
Calculated Properties
JChem
Acid pKa
14.365917
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.6486983
LogD (pH = 7.4)
3.6487
Log P
3.6487
Molar Refractivity
90.3808
Polarizability
35.85746
Polar Surface Area
45.59
Rotatable Bonds
6
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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