Molecule

ID:96282

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₆NO
Molecular Mass
273.1749792
Exact Mass
273.05883323
Charge
0
InChI
InChI=1S/C10H9F6NO/c1-5-2-3-7(17)6(4-5)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3
InChIKey
HNKHGSNMOSFCRL-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)(C(F)(F)F)c1cc(C)ccc1N
Isomeric Smiles
Nc1ccc(cc1C(C(F)(F)F)(C(F)(F)F)O)C
Calculated Properties
JChem
Acid pKa
7.4164963
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7775838
LogD (pH = 7.4)
2.491639
Log P
2.7841198
Molar Refractivity
53.0755
Polarizability
18.54977
Polar Surface Area
46.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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