Molecule

ID:96973

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈F₃NO₂
Molecular Mass
267.2033296
Exact Mass
267.05071316
Charge
0
InChI
InChI=1S/C13H8F3NO2/c14-13(15,16)10-3-6-12(17-7-10)19-11-4-1-9(8-18)2-5-11/h1-8H
InChIKey
HIAPYMWYTXDSDE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F
Isomeric Smiles
n1c(ccc(c1)C(F)(F)F)Oc1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4406607
LogD (pH = 7.4)
3.4406688
Log P
3.4406688
Molar Refractivity
63.0131
Polarizability
22.809958
Polar Surface Area
39.19
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