Molecule

ID:22873

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₃
Molecular Mass
314.37888
Exact Mass
314.16304257
Charge
0
InChI
InChI=1S/C18H22N2O3/c1-12(2)11-23-15-7-4-13(5-8-15)18(21)20-16-10-14(19)6-9-17(16)22-3/h4-10,12H,11,19H2,1-3H3,(H,20,21)
InChIKey
UWQZWQZPYNHANF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)c1ccc(cc1)OCC(C)C)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1ccc(OCC(C)C)cc1
Calculated Properties
JChem
Acid pKa
12.229562
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.1215644
LogD (pH = 7.4)
3.164581
Log P
3.1651654
Molar Refractivity
92.9625
Polarizability
34.634007
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