Molecule

ID:130428

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₉NO₃
Molecular Mass
367.48126
Exact Mass
367.21474379
Charge
0
InChI
InChI=1S/C23H29NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19/h3-12,21,25H,2,13-18H2,1H3
InChIKey
IPOPQVVNCFQFRK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCN(CC1)CCC(c1ccccc1)O)c1ccccc1
Isomeric Smiles
O=C(OCC)C1(c2ccccc2)CCN(CCC(O)c2ccccc2)CC1
Calculated Properties
JChem
Acid pKa
14.443497
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6413684
LogD (pH = 7.4)
2.3679214
Log P
3.6098983
Molar Refractivity
107.9242
Polarizability
42.36591
Polar Surface Area
49.77
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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