Molecule

ID:23058

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-11-5-4-6-15(9-11)21-13(3)17(20)19-16-8-7-14(18)10-12(16)2/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKey
ZCBIRVGDSSYHOV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)NC(=O)C(Oc1cccc(c1)C)C
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)C)C(Oc1cc(ccc1)C)C
Calculated Properties
JChem
Acid pKa
13.368455
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4784608
LogD (pH = 7.4)
3.4943342
Log P
3.494541
Molar Refractivity
86.1598
Polarizability
31.990099
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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