Molecule

ID:65673

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₃ClN₂Si₂
Molecular Mass
405.12412
Exact Mass
404.18707981
Charge
0
InChI
InChI=1S/C21H33ClN2Si2/c1-15(2)26(16(3)4,17(5)6)24-12-10-18-14-19(22)20(23-21(18)24)11-13-25(7,8)9/h10,12,14-17H,1-9H3
InChIKey
UBCBTOYSRXSPKC-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2ccn(c2nc1C#C[Si](C)(C)C)[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1(c(nc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.4117527
LogD (pH = 7.4)
7.4117994
Log P
7.4118
Molar Refractivity
104.896
Polarizability
46.406536
Polar Surface Area
17.82
Rotatable Bonds
6
Lipinski's Rule of Five
false
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