Molecule

ID:79642

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O
Molecular Mass
310.43324
Exact Mass
310.20451346
Charge
0
InChI
InChI=1S/C20H26N2O/c1-19(2,3)15-9-7-11-17(13-15)21-22(23)18-12-8-10-16(14-18)20(4,5)6/h7-14H,1-6H3
InChIKey
HSVGDUHQFYXDIY-UHFFFAOYSA-N
Canonic Smiles
[O-]/[N+](=N\c1cccc(c1)C(C)(C)C)/c1cccc(c1)C(C)(C)C
Isomeric Smiles
[N+](=N\c1cc(ccc1)C(C)(C)C)(/c1cccc(c1)C(C)(C)C)\[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.000255
LogD (pH = 7.4)
6.000255
Log P
6.000255
Molar Refractivity
98.4559
Polarizability
36.631054
Polar Surface Area
41.11
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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