Molecule

ID:100239

General Information
Structure
MolImage
Molecular Formula
C₁₂H₄F₅NO₂
Molecular Mass
289.157676
Exact Mass
289.01621947
Charge
0
InChI
InChI=1S/C12H4F5NO2/c13-6-7(14)9(16)11(10(17)8(6)15)20-12(19)5-2-1-3-18-4-5/h1-4H
InChIKey
AXHLJDBUUFUDCF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
O(c1c(c(c(c(c1F)F)F)F)F)C(=O)c1cccnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1285336
LogD (pH = 7.4)
3.1304934
Log P
3.1305184
Molar Refractivity
56.786
Polarizability
20.645794
Polar Surface Area
39.19
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