Molecule

ID:107991

General Information

Structure

MolImage

Molecular Formula

C₁₂H₁₀O₃

Molecular Mass

202.206

Exact Mass

202.06299418

Charge

0

InChI

InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey

NZGQHKSLKRFZFL-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1)Oc1ccc(cc1)O

Isomeric Smiles

Oc1ccc(Oc2ccc(O)cc2)cc1

Calculated Properties

JChem

Acid pKa

9.397479

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

2.8663478

LogD (pH = 7.4)

2.8620696

Log P

2.8664024

Molar Refractivity

56.2606

Polarizability

21.859274

Polar Surface Area

49.69

Rotatable Bonds

2

Lipinski's Rule of Five

true

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