Molecule

ID:97383

General Information
Structure
MolImage
Molecular Formula
C₁₆H₆F₅NO₂
Molecular Mass
339.216356
Exact Mass
339.03186954
Charge
0
InChI
InChI=1S/C16H6F5NO2/c17-10-11(18)13(20)15(14(21)12(10)19)24-16(23)9-6-22-5-7-3-1-2-4-8(7)9/h1-6H
InChIKey
DEILZUOGNADSGO-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cncc2c1cccc2)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1F)F)OC(=O)c1c2c(cnc1)cccc2)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.115076
LogD (pH = 7.4)
4.1199327
Log P
4.119995
Molar Refractivity
73.2362
Polarizability
27.76041
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