Molecule

ID:23536

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c1-2-21-10-11-22-16-5-3-4-13(12-16)17(20)19-15-8-6-14(18)7-9-15/h3-9,12H,2,10-11,18H2,1H3,(H,19,20)
InChIKey
CHGVSVFOWTWKMS-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)c1cc(OCCOCC)ccc1
Calculated Properties
JChem
Acid pKa
12.529004
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.3804524
LogD (pH = 7.4)
2.3882623
Log P
2.3883657
Molar Refractivity
88.5472
Polarizability
32.80839
Polar Surface Area
73.58
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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