Molecule

ID:61341

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₄
Molecular Mass
242.2268
Exact Mass
242.0579088
Charge
0
InChI
InChI=1S/C14H10O4/c1-8-2-4-10(17-8)7-13-14(16)11-5-3-9(15)6-12(11)18-13/h2-7,15H,1H3/b13-7-
InChIKey
MKJSIKADDKCCCR-QPEQYQDCSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\c1ccc(o1)C)/C2=O
Isomeric Smiles
C\1(=C\c2oc(cc2)C)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.6477876
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1554596
LogD (pH = 7.4)
1.9656821
Log P
2.158517
Molar Refractivity
66.5678
Polarizability
24.527115
Polar Surface Area
59.67
Rotatable Bonds
1
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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