Molecule

ID:22898

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₄
Molecular Mass
316.3517
Exact Mass
316.14230713
Charge
0
InChI
InChI=1S/C17H20N2O4/c1-21-9-10-23-14-6-3-12(4-7-14)17(20)19-15-11-13(18)5-8-16(15)22-2/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKey
QKYXHRVYWHGSPT-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1ccc(cc1)OCCOC
Calculated Properties
JChem
Acid pKa
12.227257
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.8303106
LogD (pH = 7.4)
1.8733027
Log P
1.8738866
Molar Refractivity
90.2618
Polarizability
33.495605
Polar Surface Area
82.81
Rotatable Bonds
7
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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