Molecule

ID:127039

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₂
Molecular Mass
326.43264
Exact Mass
326.19942808
Charge
0
InChI
InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1
InChIKey
LJOQGZACKSYWCH-WZBLMQSHSA-N
Canonic Smiles
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O
Isomeric Smiles
O(c1cc2c(nccc2[C@@H](O)[C@H]2N3CC[C@@H](C2)[C@@H](CC)C3)cc1)C
Calculated Properties
JChem
Acid pKa
13.89212
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.47483543
LogD (pH = 7.4)
1.0415924
Log P
2.817452
Molar Refractivity
94.6495
Polarizability
38.58629
Polar Surface Area
45.59
Rotatable Bonds
4
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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