Molecule

ID:45554

General Information
Structure
Molecular Formula
C₁₅H₁₅FN₂O₃
Molecular Mass
290.2896032
Exact Mass
290.10667057
Charge
0
InChI
InChI=1S/C15H15FN2O3/c1-20-14-8-11(17)5-6-13(14)18-15(19)9-21-12-4-2-3-10(16)7-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
VFYAPYJRMBEFRW-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1NC(=O)COc1cccc(c1)F
Isomeric Smiles
N(c1c(cc(N)cc1)OC)C(=O)COc1cc(F)ccc1
Calculated Properties
JChem
Acid pKa
12.227007
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8798175
LogD (pH = 7.4)
1.8839058
Log P
1.8839644
Molar Refractivity
78.2631
Polarizability
28.839844
Polar Surface Area
73.58
Rotatable Bonds
5
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