Molecule

ID:23005

General Information
Structure
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-11(2)21-16-10-5-4-7-13(16)17(20)19-15-9-6-8-14(18)12(15)3/h4-11H,18H2,1-3H3,(H,19,20)
InChIKey
DSDLGMVPOLPSBT-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1C(=O)Nc1cccc(c1C)N)C
Isomeric Smiles
C(=O)(c1c(OC(C)C)cccc1)Nc1c(c(N)ccc1)C
Calculated Properties
JChem
Acid pKa
12.612963
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3588185
LogD (pH = 7.4)
3.3652525
Log P
3.3653378
Molar Refractivity
86.9637
Polarizability
32.045074
Polar Surface Area
64.35
Rotatable Bonds
4
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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