Molecule

ID:60034

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₅
Molecular Mass
297.26224
Exact Mass
297.06372246
Charge
0
InChI
InChI=1S/C16H11NO5/c1-22-11-5-3-10(4-6-11)17-14(18)12-7-2-9(16(20)21)8-13(12)15(17)19/h2-8H,1H3,(H,20,21)
InChIKey
LYYLAXSLLVRTCM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccc(c2)C(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.4905367
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.07419623
LogD (pH = 7.4)
-1.3032215
Log P
2.0749693
Molar Refractivity
77.7085
Polarizability
28.993738
Polar Surface Area
83.91
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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