Molecule

ID:97373

General Information
Structure
MolImage
Molecular Formula
C₁₉H₇F₈NO₂
Molecular Mass
433.2516056
Exact Mass
433.03490423
Charge
0
InChI
InChI=1S/C19H7F8NO2/c20-12-13(21)15(23)17(16(24)14(12)22)30-18(29)9-3-1-8(2-4-9)11-6-5-10(7-28-11)19(25,26)27/h1-7H
InChIKey
FXVFNQGTIWSDPI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)c1ccc(cn1)C(F)(F)F)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1OC(=O)c1ccc(cc1)c1ccc(cn1)C(F)(F)F)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.039422
LogD (pH = 7.4)
6.041417
Log P
6.041443
Molar Refractivity
87.5239
Polarizability
32.590782
Polar Surface Area
39.19
Rotatable Bonds
5
Lipinski's Rule of Five
false
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