Molecule

ID:22690

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₃
Molecular Mass
286.32572
Exact Mass
286.13174245
Charge
0
InChI
InChI=1S/C16H18N2O3/c1-20-9-10-21-15-8-3-2-7-14(15)16(19)18-13-6-4-5-12(17)11-13/h2-8,11H,9-10,17H2,1H3,(H,18,19)
InChIKey
NIOFHWPVZLFJSF-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccccc1C(=O)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(c1c(OCCOC)cccc1)Nc1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
12.5045805
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.0232198
LogD (pH = 7.4)
2.0314486
Log P
2.0315578
Molar Refractivity
83.7986
Polarizability
30.970993
Polar Surface Area
73.58
Rotatable Bonds
6
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