Molecule

ID:127398

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₉NO₃
Molecular Mass
367.48126
Exact Mass
367.21474379
Charge
0
InChI
InChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3
InChIKey
BAQKJENAVQLANS-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1)C(=O)OCCN1CCOC(C1C)c1ccccc1
Isomeric Smiles
O=C(OCCN1C(C(OCC1)c1ccccc1)C)C(c1ccccc1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8139896
LogD (pH = 7.4)
4.7059345
Log P
4.7454023
Molar Refractivity
107.1054
Polarizability
42.4402
Polar Surface Area
38.77
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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