Molecule

ID:22965

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c1-11-13(18)7-6-8-14(11)19-17(20)12(2)22-16-10-5-4-9-15(16)21-3/h4-10,12H,18H2,1-3H3,(H,19,20)
InChIKey
IIANAKLRAAAHRK-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(C(=O)Nc1cccc(c1C)N)C
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)C(Oc1c(OC)cccc1)C
Calculated Properties
JChem
Acid pKa
12.806846
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.8168094
LogD (pH = 7.4)
2.8233624
Log P
2.8234482
Molar Refractivity
87.5818
Polarizability
32.74391
Polar Surface Area
73.58
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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