Molecule

ID:56151

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₄
Molecular Mass
281.26284
Exact Mass
281.06880784
Charge
0
InChI
InChI=1S/C16H11NO4/c1-9-3-2-4-12-13(9)15(19)17(14(12)18)11-7-5-10(6-8-11)16(20)21/h2-8H,1H3,(H,20,21)
InChIKey
WNSDQNTZZXCIRH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(C)ccc2
Isomeric Smiles
c1c(c2c(cc1)C(=O)N(C2=O)c1ccc(cc1)C(=O)O)C
Calculated Properties
JChem
Acid pKa
4.014863
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2508433
LogD (pH = 7.4)
-0.40442178
Log P
2.7460618
Molar Refractivity
76.2865
Polarizability
28.208525
Polar Surface Area
74.68
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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