Molecule

ID:99716

General Information
Structure
MolImage
Molecular Formula
C₉H₉F₄NSi
Molecular Mass
235.2535728
Exact Mass
235.04403871
Charge
0
InChI
InChI=1S/C9H9F4NSi/c1-14(2)6-4-3-5-7(8(6)10)15-9(11,12)13/h3-5H,1-2H3
InChIKey
PXRMOKFRTNGAMK-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc(c1F)[Si]C(F)(F)F)C
Isomeric Smiles
[Si](c1cccc(c1F)N(C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7168987
LogD (pH = 7.4)
3.7168999
Log P
3.7169
Molar Refractivity
45.895
Polarizability
18.374025
Polar Surface Area
3.24
Rotatable Bonds
3
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