Molecule

ID:130432

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂N₂O₃
Molecular Mass
384.51178
Exact Mass
384.24129289
Charge
0
InChI
InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3
InChIKey
VSTNNAYSCJQCQI-UHFFFAOYSA-N
Canonic Smiles
COC(c1ccccc1)CN1CCN(CC1)CC(C(c1ccccc1)OC)O
Isomeric Smiles
OC(CN1CCN(CC1)CC(OC)c1ccccc1)C(OC)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.72415
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.25212282
LogD (pH = 7.4)
2.0268674
Log P
2.8814836
Molar Refractivity
112.6533
Polarizability
44.510654
Polar Surface Area
45.17
Rotatable Bonds
9
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
References
Bioactivity
Navigation