Molecule

ID:109005

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₃NO

Molecular Mass

211.25912

Exact Mass

211.09971404

Charge

0

InChI

InChI=1S/C14H13NO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)

InChIKey

YUIHXKGKVSVIEL-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)NC(=O)c1ccccc1

Isomeric Smiles

Cc1ccc(NC(=O)c2ccccc2)cc1

Calculated Properties

JChem

Acid pKa

12.322055

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.578552

LogD (pH = 7.4)

3.578547

Log P

3.578552

Molar Refractivity

66.6327

Polarizability

24.723484

Polar Surface Area

29.1

Rotatable Bonds

2

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