Molecule

ID:36087

General Information

Structure

Molecular Formula

C₁₁H₁₃N

Molecular Mass

159.22762

Exact Mass

159.10479942

Charge

0

InChI

InChI=1S/C11H13N/c1-8-4-5-10-7-9(2)12(3)11(10)6-8/h4-7H,1-3H3

InChIKey

YDGKKDDCAQKJNO-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc2c(c1)n(C)c(c2)C

Isomeric Smiles

c1c(cc2n(c(cc2c1)C)C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.0086665

LogD (pH = 7.4)

3.0086665

Log P

3.0086665

Molar Refractivity

52.2321

Polarizability

20.940292

Polar Surface Area

4.93

Rotatable Bonds

0

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

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References

Bioactivity