Molecule

ID:71773

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₄
Molecular Mass
246.25856
Exact Mass
246.08920893
Charge
0
InChI
InChI=1S/C14H14O4/c1-9-3-5-12(10(2)7-9)17-8-11-4-6-13(18-11)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)
InChIKey
KZDVFUFFQYJIED-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)OCc1ccc(o1)C(=O)O
Isomeric Smiles
o1c(ccc1C(=O)O)COc1c(cc(cc1)C)C
Calculated Properties
JChem
Acid pKa
3.1123633
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.84556013
LogD (pH = 7.4)
-0.2549106
Log P
3.2047212
Molar Refractivity
66.7408
Polarizability
25.186646
Polar Surface Area
59.67
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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