Molecule

ID:55909

General Information

Structure

MolImage

Molecular Formula

C₁₂H₁₃NO₂

Molecular Mass

203.23712

Exact Mass

203.09462866

Charge

0

InChI

InChI=1S/C12H13NO2/c1-2-3-8-13-10-7-5-4-6-9(10)11(14)12(13)15/h4-7H,2-3,8H2,1H3

InChIKey

POEDHWVTLBLWDA-UHFFFAOYSA-N

Canonic Smiles

CCCCN1c2ccccc2C(=O)C1=O

Isomeric Smiles

C1(=O)N(c2c(C1=O)cccc2)CCCC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.1395087

LogD (pH = 7.4)

2.1395087

Log P

2.1395087

Molar Refractivity

57.4645

Polarizability

21.89008

Polar Surface Area

37.38

Rotatable Bonds

3

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