Molecule

ID:80284

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₆N₂O
Molecular Mass
334.45464
Exact Mass
334.20451346
Charge
0
InChI
InChI=1S/C22H24N2.H2O/c1-2-7-19(8-3-1)17-23-13-15-24(16-14-23)18-21-11-6-10-20-9-4-5-12-22(20)21;/h1-12H,13-18H2;1H2
InChIKey
LQXCTQIGYMUBCA-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCN(CC1)Cc1cccc2c1cccc2.O
Isomeric Smiles
N1(Cc2cccc3ccccc23)CCN(CC1)Cc1ccccc1.O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4020902
LogD (pH = 7.4)
3.087467
Log P
4.475712
Molar Refractivity
101.7136
Polarizability
41.016304
Polar Surface Area
6.48
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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