Molecule

ID:32977

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉ClN₂O₂Si
Molecular Mass
356.96286
Exact Mass
356.16868239
Charge
0
InChI
InChI=1S/C17H29ClN2O2Si/c1-16(2,3)15(21)20-13-10-9-12(19-14(13)18)11-22-23(7,8)17(4,5)6/h9-10H,11H2,1-8H3,(H,20,21)
InChIKey
VTWZFDHXSNZFHJ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(ccc1NC(=O)C(C)(C)C)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)CO[Si](C(C)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
11.624764
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.9830995
LogD (pH = 7.4)
4.9830747
Log P
4.9831
Molar Refractivity
94.4744
Polarizability
38.297768
Polar Surface Area
51.22
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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