Molecule

ID:22650

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₃
Molecular Mass
286.32572
Exact Mass
286.13174245
Charge
0
InChI
InChI=1S/C16H18N2O3/c1-11(21-15-8-6-14(20-2)7-9-15)16(19)18-13-5-3-4-12(17)10-13/h3-11H,17H2,1-2H3,(H,18,19)
InChIKey
NRUIIQHUYIIBMA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OC(C(=O)Nc1cccc(c1)N)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)C(Oc1ccc(cc1)OC)C
Calculated Properties
JChem
Acid pKa
12.71595
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.3008332
LogD (pH = 7.4)
2.3099077
Log P
2.310027
Molar Refractivity
82.5406
Polarizability
30.977213
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