Molecule

ID:23694

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNSi
Molecular Mass
209.74748
Exact Mass
209.0427536
Charge
0
InChI
InChI=1S/C10H12ClNSi/c1-13(2,3)7-6-9-4-5-10(11)12-8-9/h4-5,8H,1-3H3
InChIKey
CGJKMVMYUJVZRQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)C#C[Si](C)(C)C
Isomeric Smiles
c1c(ncc(c1)C#C[Si](C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6225982
LogD (pH = 7.4)
3.6226
Log P
3.6226
Molar Refractivity
50.0038
Polarizability
22.386168
Polar Surface Area
12.89
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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