Molecule

ID:128652

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₉NO₂
Molecular Mass
339.47116
Exact Mass
339.21982917
Charge
0
InChI
InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3
InChIKey
VWCUGCYZZGRKEE-UHFFFAOYSA-N
Canonic Smiles
CCC(C(c1ccccc1)(c1ccccc1)CC(NC)C)OC(=O)C
Isomeric Smiles
O=C(OC(C(c1ccccc1)(c1ccccc1)CC(NC)C)CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2705826
LogD (pH = 7.4)
1.7387435
Log P
4.5017214
Molar Refractivity
112.5629
Polarizability
40.66775
Polar Surface Area
38.33
Rotatable Bonds
9
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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