Molecule

ID:129809

General Information

Structure

Molecular Formula

C₁₁H₈O

Molecular Mass

156.18062

Exact Mass

156.05751488

Charge

0

InChI

InChI=1S/C11H8O/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-8H

InChIKey

QOJPVSFOTJTAFD-UHFFFAOYSA-N

Canonic Smiles

O=C1C=CC=C1c1ccccc1

Isomeric Smiles

O=C1C=CC=C1c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.7073603

LogD (pH = 7.4)

2.7073603

Log P

2.7073603

Molar Refractivity

50.2851

Polarizability

18.494268

Polar Surface Area

17.07

Rotatable Bonds

1

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