Molecule

ID:73387

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₂
Molecular Mass
300.39536
Exact Mass
300.18377802
Charge
0
InChI
InChI=1S/C18H24N2O2/c1-6-22-17(21)15-11-16(18(3,4)5)19-20(15)12-14-9-7-8-13(2)10-14/h7-11H,6,12H2,1-5H3
InChIKey
NAILUNOYAKADCU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(nn1Cc1cccc(c1)C)C(C)(C)C
Isomeric Smiles
n1c(cc(n1Cc1cc(ccc1)C)C(=O)OCC)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8501735
LogD (pH = 7.4)
4.8501925
Log P
4.850193
Molar Refractivity
99.5605
Polarizability
33.810696
Polar Surface Area
44.12
Rotatable Bonds
6
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
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References
Bioactivity
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