Molecule

ID:8766

General Information
Structure
MolImage
Molecular Formula
C₉H₃F₃N₂O
Molecular Mass
212.1281296
Exact Mass
212.01974739
Charge
0
InChI
InChI=1S/C9H3F3N2O/c10-9(11,12)15-8-3-6(4-13)1-2-7(8)5-14/h1-3H
InChIKey
SIJNPBWOOSQUOS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)OC(F)(F)F)C#N
Isomeric Smiles
c1c(cc(c(c1)C#N)OC(F)(F)F)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1165497
LogD (pH = 7.4)
3.1165497
Log P
3.1165497
Molar Refractivity
40.5715
Polarizability
16.024483
Polar Surface Area
56.81
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