Molecule

ID:59406

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₃NO₂
Molecular Mass
229.1553496
Exact Mass
229.0350631
Charge
0
InChI
InChI=1S/C10H6F3NO2/c1-14-7-5(8(15)9(14)16)3-2-4-6(7)10(11,12)13/h2-4H,1H3
InChIKey
JAXOXOOOXCOXAN-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cccc(c2N(C1=O)C)C(F)(F)F
Isomeric Smiles
N1(c2c(C(=O)C1=O)cccc2C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6934581
LogD (pH = 7.4)
1.6934581
Log P
1.6934581
Molar Refractivity
49.5646
Polarizability
17.717701
Polar Surface Area
37.38
Rotatable Bonds
1
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