Molecule

ID:20301

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉F₄NO
Molecular Mass
271.2102728
Exact Mass
271.06202679
Charge
0
InChI
InChI=1S/C13H9F4NO/c14-8-1-3-9(4-2-8)19-10-5-6-12(18)11(7-10)13(15,16)17/h1-7H,18H2
InChIKey
JYXYSTKHJJWGRL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ccc(c(c1)C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1ccc(F)cc1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.664919
LogD (pH = 7.4)
3.6651545
Log P
3.6651576
Molar Refractivity
63.1893
Polarizability
22.660994
Polar Surface Area
35.25
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