Molecule

ID:41135

General Information

Structure

MolImage

Molecular Formula

C₁₇H₁₄O₂

Molecular Mass

250.29186

Exact Mass

250.09937969

Charge

0

InChI

InChI=1S/C17H14O2/c18-16-8-6-14-7-9-17(11-15(14)10-16)19-12-13-4-2-1-3-5-13/h1-11,18H,12H2

InChIKey

UNBCQJKOYUSQAW-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)cc(cc2)OCc1ccccc1

Isomeric Smiles

c12cc(OCc3ccccc3)ccc1ccc(c2)O

Calculated Properties

JChem

Acid pKa

9.769839

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

4.225936

LogD (pH = 7.4)

4.224121

Log P

4.2259593

Molar Refractivity

75.5649

Polarizability

30.632034

Polar Surface Area

29.46

Rotatable Bonds

3

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