Molecule

ID:100245

General Information
Structure
MolImage
Molecular Formula
C₁₇H₉F₅N₂O₂
Molecular Mass
368.257576
Exact Mass
368.05841864
Charge
0
InChI
InChI=1S/C17H9F5N2O2/c1-24-7-6-10(23-24)8-2-4-9(5-3-8)17(25)26-16-14(21)12(19)11(18)13(20)15(16)22/h2-7H,1H3
InChIKey
LGHZGIHYFYLEAC-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc(n1)c1ccc(cc1)C(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
O=C(c1ccc(cc1)c1nn(cc1)C)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8090262
LogD (pH = 7.4)
4.8091254
Log P
4.809127
Molar Refractivity
92.6105
Polarizability
30.667402
Polar Surface Area
44.12
Rotatable Bonds
4
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