Molecule

ID:22860

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₄
Molecular Mass
316.3517
Exact Mass
316.14230713
Charge
0
InChI
InChI=1S/C17H20N2O4/c1-11(23-16-7-5-4-6-15(16)22-3)17(20)19-13-10-12(18)8-9-14(13)21-2/h4-11H,18H2,1-3H3,(H,19,20)
InChIKey
UTMQMISSFJNMBA-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(C(=O)Nc1cc(N)ccc1OC)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)C(Oc1c(OC)cccc1)C
Calculated Properties
JChem
Acid pKa
11.5102215
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.1079998
LogD (pH = 7.4)
2.1517355
Log P
2.1523554
Molar Refractivity
89.0038
Polarizability
33.50682
Polar Surface Area
82.81
Rotatable Bonds
6
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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