Molecule

ID:71507

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-11-7-8-12(2)15(9-11)18-10-19-16(20)13-5-3-4-6-14(13)17(19)21/h3-4,7-9,13-14,18H,5-6,10H2,1-2H3
InChIKey
HBUQWJADZIRLFX-UHFFFAOYSA-N
Canonic Smiles
O=C1C2CC=CCC2C(=O)N1CNc1cc(C)ccc1C
Isomeric Smiles
Cc1ccc(C)c(c1)NCN1C(=O)C2C(C1=O)CC=CC2
Calculated Properties
JChem
Acid pKa
17.603796
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.78966
LogD (pH = 7.4)
2.7910912
Log P
2.7911096
Molar Refractivity
84.0182
Polarizability
31.152466
Polar Surface Area
49.41
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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