Molecule
ID:61282
General Information
Molecular Formula
C₁₄H₁₁NO₆
Molecular Mass
289.24024
Exact Mass
289.05863708
Charge
0
InChI
InChI=1S/C14H11NO6/c1-20-13(18)8-5-9(14(19)21-2)7-10(6-8)15-11(16)3-4-12(15)17/h3-7H,1-2H3
InChIKey
QZCCNDIHBWMEHD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(cc(c1)N1C(=O)C=CC1=O)C(=O)OC
Isomeric Smiles
N1(c2cc(C(=O)OC)cc(C(=O)OC)c2)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2526847
LogD (pH = 7.4)
1.2526855
Log P
1.2526855
Molar Refractivity
72.0763
Polarizability
26.963066
Polar Surface Area
89.98
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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