Molecule

ID:64367

General Information

Structure

Molecular Formula

C₇H₅NO

Molecular Mass

119.1207

Exact Mass

119.03711379

Charge

0

InChI

InChI=1S/C7H5NO/c1-3-8-5-7-6(1)2-4-9-7/h1-5H

InChIKey

ZYXBIOIYWUIXSM-UHFFFAOYSA-N

Canonic Smiles

c1ncc2c(c1)cco2

Isomeric Smiles

c1oc2c(c1)ccnc2

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

0.89458233

LogD (pH = 7.4)

0.9144363

Log P

0.9146968

Molar Refractivity

32.7422

Polarizability

13.828259

Polar Surface Area

26.03

Rotatable Bonds

0

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