Molecule

ID:52844

General Information
Structure
Molecular Formula
C₁₄H₁₉ClN₂O₃Si
Molecular Mass
326.85076
Exact Mass
326.08534669
Charge
0
InChI
InChI=1S/C14H19ClN2O3Si/c1-21(2,3)5-4-20-9-17-11(14(18)19)6-10-7-13(15)16-8-12(10)17/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKey
QJCKWAHWIGYBGW-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc2c(c1)cc(n2COCC[Si](C)(C)C)C(=O)O
Isomeric Smiles
c1c2c(cc(n1)Cl)cc(n2COCC[Si](C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.570483
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3686031
LogD (pH = 7.4)
-0.15204263
Log P
3.2962
Molar Refractivity
79.1677
Polarizability
33.59583
Polar Surface Area
64.35
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
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Molecule Details
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References
Bioactivity
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