Molecule

ID:1306

General Information
Structure
Molecular Formula
C₂₃H₂₉NO₃
Molecular Mass
367.48126
Exact Mass
367.21474379
Charge
0
InChI
InChI=1S/C23H29NO3/c1-2-27-22(25)23(21-11-7-4-8-12-21)13-15-24(16-14-23)17-18-26-19-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3
InChIKey
UVTBZAWTRVBTMK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCN(CC1)CCOCc1ccccc1)c1ccccc1
Isomeric Smiles
O(C(=O)C1(CCN(CC1)CCOCc1ccccc1)c1ccccc1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5753652
LogD (pH = 7.4)
3.3472648
Log P
4.133298
Molar Refractivity
108.1398
Polarizability
42.440403
Polar Surface Area
38.77
Rotatable Bonds
9
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.98
LOG S
-4.74
Solubility (Water)
6.73e-03 g/l
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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