Molecule

ID:23857

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClIN₂Si
Molecular Mass
434.81813
Exact Mass
434.04420099
Charge
0
InChI
InChI=1S/C16H24ClIN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(17)14(18)9-19-16(13)20/h7-12H,1-6H3
InChIKey
VWCPSKWKPNDOIH-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc2c(c1Cl)ccn2[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1(cnc2c(c1Cl)ccn2[Si](C(C)C)(C(C)C)C(C)C)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.0040135
LogD (pH = 7.4)
6.004099
Log P
6.0041
Molar Refractivity
98.3939
Polarizability
40.403793
Polar Surface Area
17.82
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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