Molecule

ID:15615

General Information

Structure

MolImage

Molecular Formula

C₁₀H₉NO

Molecular Mass

159.18456

Exact Mass

159.06841391

Charge

0

InChI

InChI=1S/C10H9NO/c1-7-2-3-10-8(4-7)5-9(6-12)11-10/h2-6,11H,1H3

InChIKey

ZNQPHKBPSUZRAA-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cc2c([nH]1)ccc(c2)C

Isomeric Smiles

c1c(cc2c(c1)[nH]c(c2)C=O)C

Calculated Properties

JChem

Acid pKa

13.026675

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.2179327

LogD (pH = 7.4)

2.2179317

Log P

2.2179327

Molar Refractivity

48.6472

Polarizability

19.239218

Polar Surface Area

32.86

Rotatable Bonds

1

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