Molecule

ID:22885

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₈N₂O₃
Molecular Mass
356.45862
Exact Mass
356.20999277
Charge
0
InChI
InChI=1S/C21H28N2O3/c1-3-4-5-6-7-14-26-18-11-8-16(9-12-18)21(24)23-19-15-17(22)10-13-20(19)25-2/h8-13,15H,3-7,14,22H2,1-2H3,(H,23,24)
InChIKey
XCOPVVPKYGWZLR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
Acid pKa
12.22985
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
4.534863
LogD (pH = 7.4)
4.577883
Log P
4.5784674
Molar Refractivity
106.8949
Polarizability
40.160446
Polar Surface Area
73.58
Rotatable Bonds
10
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