Molecule

ID:44873

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NOSi
Molecular Mass
191.30182
Exact Mass
191.07664057
Charge
0
InChI
InChI=1S/C10H13NOSi/c1-13(2,3)7-5-9-8-11-6-4-10(9)12/h4,6,8H,1-3H3,(H,11,12)
InChIKey
LXXUYRLPYDXQKD-UHFFFAOYSA-N
Canonic Smiles
Oc1ccncc1C#C[Si](C)(C)C
Isomeric Smiles
c1cncc(c1O)C#C[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
9.699131
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4490483
LogD (pH = 7.4)
2.4474196
Log P
2.4495
Molar Refractivity
46.1186
Polarizability
21.065277
Polar Surface Area
33.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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