Molecule

ID:92540

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChIKey
GTOFKXZQQDSVFH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1ccccc1)CC(=O)O
Isomeric Smiles
OC(=O)CC(Cc1ccccc1)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.92
LogD (pH = 5.5)
0.27
Log P
1.72
Rotatable Bonds
5
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.25
Polar Surface Area
74.60
Polarizability
20.47
Molar Refractivity
52.81
LOG S
-1.20
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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