Molecule

ID:22958

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-11-7-4-5-10-16(11)21-13(3)17(20)19-15-9-6-8-14(18)12(15)2/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKey
BLCDUMXUQAOAFA-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1cccc(c1C)N)Oc1ccccc1C
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)C(Oc1c(C)cccc1)C
Calculated Properties
JChem
Acid pKa
12.807817
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4867928
LogD (pH = 7.4)
3.4944408
Log P
3.494541
Molar Refractivity
86.1598
Polarizability
31.992073
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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