Molecule

ID:86316

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O
Molecular Mass
284.39596
Exact Mass
284.1888634
Charge
0
InChI
InChI=1S/C18H24N2O/c1-17(2,3)15-11-16(18(4,5)6)20(19-15)14-9-7-13(12-21)8-10-14/h7-12H,1-6H3
InChIKey
JUIVRXPUMCKSDP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)n1nc(cc1C(C)(C)C)C(C)(C)C
Isomeric Smiles
n1(c2ccc(cc2)C=O)nc(C(C)(C)C)cc1C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.167077
LogD (pH = 7.4)
5.167525
Log P
5.1675305
Molar Refractivity
87.841
Polarizability
33.90135
Polar Surface Area
34.89
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
No Data Available
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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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