Molecule

ID:51622

General Information
Structure
Molecular Formula
C₁₀H₁₂ClNSi
Molecular Mass
209.74748
Exact Mass
209.0427536
Charge
0
InChI
InChI=1S/C10H12ClNSi/c1-13(2,3)7-5-9-8-12-6-4-10(9)11/h4,6,8H,1-3H3
InChIKey
GPODELODEGHSTC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccncc1C#C[Si](C)(C)C
Isomeric Smiles
c1cncc(c1Cl)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2492402
LogD (pH = 7.4)
3.2518663
Log P
3.2519
Molar Refractivity
48.9425
Polarizability
22.34203
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation