Molecule

ID:17744

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁F₃N₂O₂
Molecular Mass
272.2231496
Exact Mass
272.07726226
Charge
0
InChI
InChI=1S/C12H11F3N2O2/c13-12(14,15)11-16-8-4-1-2-5-9(8)17(11)7-3-6-10(18)19/h1-2,4-5H,3,6-7H2,(H,18,19)
InChIKey
HQUSGKZLJZMIHU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCn1c2ccccc2nc1C(F)(F)F
Isomeric Smiles
c12n(c(nc1cccc2)C(F)(F)F)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.295652
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4934257
LogD (pH = 7.4)
-0.23856638
Log P
2.5301394
Molar Refractivity
60.8551
Polarizability
23.672644
Polar Surface Area
55.12
Rotatable Bonds
5
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