Molecule

ID:1113

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₄N₂O
Molecular Mass
366.53956
Exact Mass
366.26711372
Charge
0
InChI
InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
InChIKey
UIEATEWHFDRYRU-UHFFFAOYSA-N
Canonic Smiles
CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C
Isomeric Smiles
O(CC(N1CCCC1)CN(Cc1ccccc1)c1ccccc1)CC(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.73
LogD (pH = 5.5)
2.22
Log P
5.49
Rotatable Bonds
10
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
9.16
Polar Surface Area
15.71
Polarizability
43.89
Molar Refractivity
115.12
LOG S
-4.45
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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