Molecule

ID:44876

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₂Si
Molecular Mass
283.82602
Exact Mass
283.07953303
Charge
0
InChI
InChI=1S/C13H18ClNO2Si/c1-16-13(17-2)11-10(6-8-15-12(11)14)7-9-18(3,4)5/h6,8,13H,1-5H3
InChIKey
DLVPXJJDUWQWIT-UHFFFAOYSA-N
Canonic Smiles
COC(c1c(ccnc1Cl)C#C[Si](C)(C)C)OC
Isomeric Smiles
c1cnc(c(c1C#C[Si](C)(C)C)C(OC)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5383952
LogD (pH = 7.4)
3.5384
Log P
3.5384
Molar Refractivity
67.352
Polarizability
29.320795
Polar Surface Area
31.35
Rotatable Bonds
5
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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