Molecule

ID:23229

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂O₂
Molecular Mass
260.2636232
Exact Mass
260.09610589
Charge
0
InChI
InChI=1S/C14H13FN2O2/c15-12-7-6-10(16)8-13(12)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9,16H2,(H,17,18)
InChIKey
RXMNCVNDFQWCHE-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1ccccc1
Isomeric Smiles
c1(NC(=O)COc2ccccc2)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.1610565
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0375838
LogD (pH = 7.4)
2.041513
Log P
2.0416358
Molar Refractivity
71.7999
Polarizability
26.297787
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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