Molecule

ID:130416

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₆N₂O₂
Molecular Mass
350.45404
Exact Mass
350.19942808
Charge
0
InChI
InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1
InChIKey
DDNCQMVWWZOMLN-IRLDBZIGSA-N
Canonic Smiles
CCOC(=O)C1=C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3
Isomeric Smiles
O=C(OCC)C1=C[C@]2([C@H]3c4n1c1c(c4CCN3CCC2)cccc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3386369
LogD (pH = 7.4)
3.843793
Log P
4.0670204
Molar Refractivity
104.2384
Polarizability
41.198402
Polar Surface Area
34.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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