Molecule

ID:44220

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₄
Molecular Mass
268.26408
Exact Mass
268.07355886
Charge
0
InChI
InChI=1S/C16H12O4/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2/b7-1+
InChIKey
AZEHEBLLFINCCX-LREOWRDNSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
C(=C\c1cc2c(OCO2)cc1)/C(=O)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
7.873238
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.2081704
LogD (pH = 7.4)
3.0850322
Log P
3.2099934
Molar Refractivity
74.6248
Polarizability
28.39607
Polar Surface Area
55.76
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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