Molecule

ID:68299

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂Si
Molecular Mass
176.29048
Exact Mass
176.07697493
Charge
0
InChI
InChI=1S/C9H12N2Si/c1-12(2,3)5-4-9-6-10-8-11-7-9/h6-8H,1-3H3
InChIKey
BESYUGWNHQDZIK-UHFFFAOYSA-N
Canonic Smiles
C[Si](C#Cc1cncnc1)(C)C
Isomeric Smiles
c1ncc(cn1)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9125931
LogD (pH = 7.4)
1.9125999
Log P
1.9126
Molar Refractivity
42.9589
Polarizability
19.57258
Polar Surface Area
25.78
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