Molecule

ID:8006

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₄
Molecular Mass
256.25338
Exact Mass
256.07355886
Charge
0
InChI
InChI=1S/C15H12O4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey
VTDMBRAUHKUOON-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)Cc1ccc(cc1)C(=O)O
Isomeric Smiles
c1c(Cc2ccc(cc2)C(=O)O)ccc(C(=O)O)c1
Calculated Properties
JChem
Acid pKa
3.8861995
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.71916354
LogD (pH = 7.4)
-2.703498
Log P
3.3802056
Molar Refractivity
70.3076
Polarizability
26.345045
Polar Surface Area
74.6
Rotatable Bonds
4
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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