Molecule

ID:130427

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₉NO₂
Molecular Mass
351.48186
Exact Mass
351.21982917
Charge
0
InChI
InChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3
InChIKey
LOXCOAXRHYDLOW-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N1CCOCC1)C
Isomeric Smiles
O=C(C(c1ccccc1)(c1ccccc1)CC(N1CCOCC1)C)CC
Calculated Properties
JChem
Acid pKa
18.867655
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.138809
LogD (pH = 7.4)
4.596342
Log P
4.788671
Molar Refractivity
106.3434
Polarizability
41.77383
Polar Surface Area
29.54
Rotatable Bonds
7
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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