Molecule

ID:70570

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-6(11)7-4-2-3-5-8(7)9(12)10(13)14/h2-5,9,12H,1H3,(H,13,14)/t9-/m1/s1
InChIKey
YCCSWLJUVZBEAS-SECBINFHSA-N
Canonic Smiles
OC(=O)[C@@H](c1ccccc1C(=O)C)O
Isomeric Smiles
C(=O)([C@H](O)c1c(cccc1)C(=O)C)O
Calculated Properties
JChem
Acid pKa
3.3384821
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.6927927
LogD (pH = 7.4)
-2.9641786
Log P
0.45348316
Molar Refractivity
49.1066
Polarizability
18.923845
Polar Surface Area
74.6
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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