Molecule

ID:90334

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₈N₂O₃
Molecular Mass
370.40062
Exact Mass
370.13174245
Charge
0
InChI
InChI=1S/C23H18N2O3/c26-22(20-14-24-21-12-5-4-11-19(20)21)23(27)25-17-9-6-10-18(13-17)28-15-16-7-2-1-3-8-16/h1-14,24H,15H2,(H,25,27)
InChIKey
PKAJTDYJPNBMLA-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)c1c[nH]c2c1cccc2)Nc1cccc(c1)OCc1ccccc1
Isomeric Smiles
O(c1cc(ccc1)NC(=O)C(=O)c1c[nH]c2c1cccc2)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
11.286906
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.5903525
LogD (pH = 7.4)
4.5902996
Log P
4.590353
Molar Refractivity
108.6953
Polarizability
42.192783
Polar Surface Area
71.19
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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