Molecule

ID:41762

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₄
Molecular Mass
256.25338
Exact Mass
256.07355886
Charge
0
InChI
InChI=1S/C15H12O4/c16-10-11-6-8-13(9-7-11)19-14(15(17)18)12-4-2-1-3-5-12/h1-10,14H,(H,17,18)
InChIKey
KFWOTZCJKPDGPJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OC(c1ccccc1)C(=O)O
Isomeric Smiles
C(C(=O)O)(Oc1ccc(C=O)cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.3578827
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8146981
LogD (pH = 7.4)
-0.47069204
Log P
2.9424896
Molar Refractivity
69.5477
Polarizability
26.685505
Polar Surface Area
63.6
Rotatable Bonds
5
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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