Molecule

ID:10287

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₃NO
Molecular Mass
213.1559496
Exact Mass
213.04014848
Charge
0
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-14-15-9/h1-6H
InChIKey
SJZNMPCYRFZJLA-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)c1ccno1)(F)F
Isomeric Smiles
c1cc(on1)c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7828639
LogD (pH = 7.4)
2.7828662
Log P
2.7828662
Molar Refractivity
48.4874
Polarizability
18.338253
Polar Surface Area
26.03
Rotatable Bonds
2
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