Molecule

ID:87804

General Information
Structure
Molecular Formula
C₁₄H₂₁NOSi
Molecular Mass
247.40814
Exact Mass
247.13924083
Charge
0
InChI
InChI=1S/C14H21NOSi/c1-14(2,3)17(4,5)16-12-6-7-13-11(10-12)8-9-15-13/h6-10,15H,1-5H3
InChIKey
LUUANNCTVICLCJ-UHFFFAOYSA-N
Canonic Smiles
C[Si](C(C)(C)C)(Oc1ccc2c(c1)cc[nH]2)C
Isomeric Smiles
[nH]1c2c(cc(cc2)O[Si](C)(C)C(C)(C)C)cc1
Calculated Properties
JChem
Acid pKa
16.815714
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.0813
LogD (pH = 7.4)
4.0813
Log P
4.0813
Molar Refractivity
68.9735
Polarizability
30.24068
Polar Surface Area
25.02
Rotatable Bonds
3
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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