Molecule

ID:36104

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₃
Molecular Mass
265.26344
Exact Mass
265.07389322
Charge
0
InChI
InChI=1S/C16H11NO3/c18-15(10-6-2-1-3-7-10)14-13(16(19)20)11-8-4-5-9-12(11)17-14/h1-9,17H,(H,19,20)
InChIKey
JOODYTMDGIKINY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1[nH]c2c(c1C(=O)O)cccc2)c1ccccc1
Isomeric Smiles
c1ccc2[nH]c(c(c2c1)C(=O)O)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.8088856
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4153494
LogD (pH = 7.4)
-0.14864627
Log P
3.108945
Molar Refractivity
74.8537
Polarizability
29.527737
Polar Surface Area
70.16
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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