Molecule

ID:128666

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₉NO
Molecular Mass
335.48246
Exact Mass
335.22491455
Charge
0
InChI
InChI=1S/C23H29NO/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3
InChIKey
WCDSHELZWCOTMI-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)C(c1ccccc1)(c1ccccc1)CCN1CCCCC1
Isomeric Smiles
O=C(C(c1ccccc1)(c1ccccc1)CCN1CCCCC1)CC
Calculated Properties
JChem
Acid pKa
18.786007
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.208062
LogD (pH = 7.4)
3.7692406
Log P
5.440963
Molar Refractivity
104.9921
Polarizability
41.120773
Polar Surface Area
20.31
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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