Molecule

ID:13967

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₄
Molecular Mass
246.25856
Exact Mass
246.08920893
Charge
0
InChI
InChI=1S/C14H14O4/c1-8(2)12-6-10-5-9(3-4-14(16)17)11(15)7-13(10)18-12/h3-8,15H,1-2H3,(H,16,17)/b4-3+
InChIKey
LJDWGBJXUFJLRC-ONEGZZNKSA-N
Canonic Smiles
OC(=O)/C=C/c1cc2cc(oc2cc1O)C(C)C
Isomeric Smiles
c12c(oc(c2)C(C)C)cc(c(c1)/C=C/C(=O)O)O
Calculated Properties
JChem
Acid pKa
3.555019
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1394855
LogD (pH = 7.4)
-0.31744632
Log P
3.0787008
Molar Refractivity
68.0272
Polarizability
26.614655
Polar Surface Area
70.67
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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