Molecule

ID:71125

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁FN₂O₂
Molecular Mass
282.2691432
Exact Mass
282.08045582
Charge
0
InChI
InChI=1S/C16H11FN2O2/c17-11-6-7-12-13(8-11)19-16(21)14(18-12)9-15(20)10-4-2-1-3-5-10/h1-9,18H,(H,19,21)/b14-9+
InChIKey
DQFLXMAFWCUROO-NTEUORMPSA-N
Canonic Smiles
Fc1ccc2c(c1)[nH]c(=O)/c(=C\C(=O)c1ccccc1)/[nH]2
Isomeric Smiles
[nH]1c(=O)/c(=C\C(=O)c2ccccc2)/[nH]c2ccc(cc12)F
Calculated Properties
JChem
Acid pKa
10.614821
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2327237
LogD (pH = 7.4)
2.2324755
Log P
2.232727
Molar Refractivity
80.8177
Polarizability
28.378023
Polar Surface Area
58.2
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