Molecule

ID:18699

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₂
Molecular Mass
260.3315
Exact Mass
260.15247789
Charge
0
InChI
InChI=1S/C15H20N2O2/c1-11-14(10-18)13-6-4-5-7-15(13)17(11)9-12(19)8-16(2)3/h4-7,10,12,19H,8-9H2,1-3H3
InChIKey
ZOEFLNBBNQFDDX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(CN(C)C)O
Isomeric Smiles
n1(c(c(c2c1cccc2)C=O)C)CC(CN(C)C)O
Calculated Properties
JChem
Acid pKa
14.422771
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2018877
LogD (pH = 7.4)
0.562322
Log P
1.5960572
Molar Refractivity
77.7565
Polarizability
30.484463
Polar Surface Area
45.47
Rotatable Bonds
5
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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