Molecule

ID:59617

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₄
Molecular Mass
281.26284
Exact Mass
281.06880784
Charge
0
InChI
InChI=1S/C16H11NO4/c18-14-12-7-6-11(16(20)21)8-13(12)15(19)17(14)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)
InChIKey
KGHOAEZOEVGKMU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)Cc1ccccc1
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccc(c2)C(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.5467014
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.35242146
LogD (pH = 7.4)
-1.0617502
Log P
2.2991552
Molar Refractivity
76.0803
Polarizability
27.923714
Polar Surface Area
74.68
Rotatable Bonds
3
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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