Molecule

ID:44291

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃NO₄
Molecular Mass
295.28942
Exact Mass
295.0844579
Charge
0
InChI
InChI=1S/C17H13NO4/c19-11-12-5-7-13(8-6-12)22-10-9-18-16(20)14-3-1-2-4-15(14)17(18)21/h1-8,11H,9-10H2
InChIKey
ZEOQNUIHEHJIDQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCOc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.2736511
LogD (pH = 7.4)
2.2736511
Log P
2.2736511
Molar Refractivity
81.3477
Polarizability
29.998138
Polar Surface Area
63.68
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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