Molecule

ID:65505

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NOSi
Molecular Mass
231.36568
Exact Mass
231.1079407
Charge
0
InChI
InChI=1S/C13H17NOSi/c1-16(2,3)8-6-11-9-12-5-4-7-15-13(12)14-10-11/h9-10H,4-5,7H2,1-3H3
InChIKey
ARFBUIUTXLKOMZ-UHFFFAOYSA-N
Canonic Smiles
C[Si](C#Cc1cnc2c(c1)CCCO2)(C)C
Isomeric Smiles
c1(cnc2c(c1)CCCO2)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5575037
LogD (pH = 7.4)
3.5577962
Log P
3.5578
Molar Refractivity
58.825
Polarizability
25.86109
Polar Surface Area
22.12
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
暂无数据
点击上传数据
References
Bioactivity
Navigation