Molecule
ID:80280
General Information
Molecular Formula
C₂₀H₂₄N₂O₂
Molecular Mass
324.41676
Exact Mass
324.18377802
Charge
0
InChI
InChI=1S/C20H24N2O2/c1-19(2)12-8-9-20(3,10-12)18(19)22-17(24)16(23)14-11-21-15-7-5-4-6-13(14)15/h4-7,11-12,18,21H,8-10H2,1-3H3,(H,22,24)
InChIKey
STGUCNRVLTUQJT-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)c1c[nH]c2c1cccc2)NC1C2(C)CCC(C1(C)C)C2
Isomeric Smiles
N(C1C2(CC(C1(C)C)CC2)C)C(=O)C(=O)c1c[nH]c2c1cccc2
Calculated Properties
JChem
Acid pKa
12.221084
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.6699252
LogD (pH = 7.4)
3.669919
Log P
3.6699255
Molar Refractivity
92.9601
Polarizability
37.449844
Polar Surface Area
61.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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