Molecule

ID:14115

General Information

Structure

MolImage

Molecular Formula

C₈H₉NO

Molecular Mass

135.16316

Exact Mass

135.06841391

Charge

0

InChI

InChI=1S/C8H9NO/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1,9H2

InChIKey

QCTFMVJQPRXEII-UHFFFAOYSA-N

Canonic Smiles

C=COc1ccc(cc1)N

Isomeric Smiles

c1(ccc(cc1)N)OC=C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.4107037

LogD (pH = 7.4)

1.4902079

Log P

1.491323

Molar Refractivity

40.9138

Polarizability

15.588583

Polar Surface Area

35.25

Rotatable Bonds

2

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