Molecule

ID:74428

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-7-4-2-3-5-8(7)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
InChIKey
YVWCGEMMBLBBOC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(=O)O)Cc1ccccc1C
Isomeric Smiles
O=C(C(Cc1c(cccc1)C)C(=O)O)O
Calculated Properties
JChem
Acid pKa
2.4836283
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.6100426
LogD (pH = 7.4)
-1.7448379
Log P
2.303663
Molar Refractivity
53.2995
Polarizability
20.531904
Polar Surface Area
74.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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