Molecule

ID:7865

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+
InChIKey
BYHBHNKBISXCEP-QPJJXVBHSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(cc1)OC(=O)C
Isomeric Smiles
C(=O)(Oc1ccc(cc1)/C=C/C(=O)O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.62
LogD (pH = 5.5)
-0.22
Log P
1.74
Rotatable Bonds
4
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.53
Polar Surface Area
63.60
Polarizability
20.58
Molar Refractivity
54.19
LOG S
-2.44
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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