Molecule

ID:22831

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₄
Molecular Mass
302.32512
Exact Mass
302.12665707
Charge
0
InChI
InChI=1S/C16H18N2O4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,17H2,1-3H3,(H,18,19)
InChIKey
GJOWDJNNECITIB-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(c1cc(c(c(c1)OC)OC)OC)Nc1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.593656
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.7573503
LogD (pH = 7.4)
1.7631142
Log P
1.7631909
Molar Refractivity
85.6815
Polarizability
31.645147
Polar Surface Area
82.81
Rotatable Bonds
5
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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