Molecule
ID:74548
General Information
Molecular Formula
C₁₇H₁₁NO₄
Molecular Mass
293.27354
Exact Mass
293.06880784
Charge
0
InChI
InChI=1S/C17H11NO4/c19-15-12-6-1-2-7-13(12)16(20)14(15)9-18-11-5-3-4-10(8-11)17(21)22/h1-9,18H,(H,21,22)
InChIKey
VRPYJIICVOYEQG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)N/C=C/1\C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N(c1cc(ccc1)C(=O)O)/C=C/1\C(=O)c2c(cccc2)C1=O
Calculated Properties
JChem
Acid pKa
4.749461
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.3360776
LogD (pH = 7.4)
-0.4407094
Log P
2.156895
Molar Refractivity
82.1663
Polarizability
29.897596
Polar Surface Area
83.47
Rotatable Bonds
3
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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