Molecule

ID:65567

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrN₂OSi
Molecular Mass
327.29226
Exact Mass
326.04500177
Charge
0
InChI
InChI=1S/C13H19BrN2OSi/c1-13(2,3)12-16-9-10(17-12)8(18(4,5)6)7-15-11(9)14/h7H,1-6H3
InChIKey
LNJWYCVLOBKPSZ-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc(c2c1nc(o2)C(C)(C)C)[Si](C)(C)C
Isomeric Smiles
c1(cnc(c2c1oc(n2)C(C)(C)C)Br)[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0241
LogD (pH = 7.4)
5.0241
Log P
5.0241
Molar Refractivity
73.2379
Polarizability
31.472698
Polar Surface Area
38.92
Rotatable Bonds
2
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