Molecule

ID:60190

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₄
Molecular Mass
269.25214
Exact Mass
269.06880784
Charge
0
InChI
InChI=1S/C15H11NO4/c17-14-8-4-12(5-9-14)15(18)10-3-11-1-6-13(7-2-11)16(19)20/h1-10,17H/b10-3+
InChIKey
DATNNMBFPMYEKO-XCVCLJGOSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)/C=C/C(=O)c1ccc(cc1)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
7.87325
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.5249212
LogD (pH = 7.4)
3.4017859
Log P
3.5267441
Molar Refractivity
76.1826
Polarizability
27.797375
Polar Surface Area
83.12
Rotatable Bonds
4
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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