Molecule

ID:112133

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄N₂O₂
Molecular Mass
348.43816
Exact Mass
348.18377802
Charge
0
InChI
InChI=1S/C22H24N2O2/c1-12-2-3-16-15(8-12)22-5-6-23-11-13-4-7-26-17-10-19(25)24(16)21(22)20(17)14(13)9-18(22)23/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3
InChIKey
QVTPVQNDOIPWLP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)C13CCN4C1CC1C5C3N2C(=O)CC5OCC=C1C4
Isomeric Smiles
Cc1ccc2N3C4C5C(CC3=O)OCC=C3CN6CCC4(C6CC53)c2c1
Calculated Properties
JChem
Acid pKa
17.242046
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.8675306
LogD (pH = 7.4)
-0.40731505
Log P
1.4399427
Molar Refractivity
99.5489
Polarizability
38.512035
Polar Surface Area
32.78
Rotatable Bonds
0
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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