Molecule

ID:60040

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈N₂O₃
Molecular Mass
334.36852
Exact Mass
334.13174245
Charge
0
InChI
InChI=1S/C20H18N2O3/c1-12(23)22-17(20(24)25)11-15-14-9-5-6-10-16(14)21-18(15)19(22)13-7-3-2-4-8-13/h2-10,17,19,21H,11H2,1H3,(H,24,25)/t17-,19?/m1/s1
InChIKey
RKISQQCZJAUBPR-DUSLRRAJSA-N
Canonic Smiles
OC(=O)[C@H]1Cc2c(C(N1C(=O)C)c1ccccc1)[nH]c1c2cccc1
Isomeric Smiles
c12c(C[C@@H](N(C1c1ccccc1)C(=O)C)C(=O)O)c1c([nH]2)cccc1
Calculated Properties
JChem
Acid pKa
4.033811
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1973186
LogD (pH = 7.4)
-0.46498907
Log P
2.6743684
Molar Refractivity
93.2582
Polarizability
37.15506
Polar Surface Area
73.4
Rotatable Bonds
2
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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