Molecule

ID:51685

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂Si
Molecular Mass
233.3385
Exact Mass
233.08720526
Charge
0
InChI
InChI=1S/C12H15NO2Si/c1-8(14)9-5-11-10(13-7-9)6-12(15-11)16(2,3)4/h5-7H,1-4H3
InChIKey
PQSVBIPUESNCDX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cnc2c(c1)oc(c2)[Si](C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)[Si](C)(C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
15.430381
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2483103
LogD (pH = 7.4)
2.2483988
Log P
2.2484
Molar Refractivity
58.0899
Polarizability
26.012897
Polar Surface Area
43.1
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