Molecule

ID:5313

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NOSi
Molecular Mass
249.42402
Exact Mass
249.15489089
Charge
0
InChI
InChI=1S/C14H23NOSi/c1-15(16)11-9-14(10-12-15)17(2,3)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-,15+
InChIKey
HDJXTRKZEHHECC-GASCZTMLSA-N
Canonic Smiles
C[Si](c1ccccc1)([C@@H]1CC[N@@+](CC1)([O-])C)C
Isomeric Smiles
c1ccc(cc1)[Si](C)(C)[C@@H]1CC[N@@+](CC1)([O-])C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7832208
LogD (pH = 7.4)
2.785471
Log P
2.7855
Molar Refractivity
69.716
Polarizability
28.927294
Polar Surface Area
26.88
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.08
LOG S
-5.54
Solubility (Water)
7.13e-04 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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