Molecule

ID:79720

General Information

Structure

Molecular Formula

C₉H₁₃NO

Molecular Mass

151.20562

Exact Mass

151.09971404

Charge

0

InChI

InChI=1S/C9H13NO/c1-2-11-8-6-9-5-3-4-7-10-9/h3-5,7H,2,6,8H2,1H3

InChIKey

BVFWKBCHXXZOJJ-UHFFFAOYSA-N

Canonic Smiles

CCOCCc1ccccn1

Isomeric Smiles

n1c(cccc1)CCOCC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.11634

LogD (pH = 7.4)

1.3035859

Log P

1.3066427

Molar Refractivity

44.394

Polarizability

17.410112

Polar Surface Area

22.12

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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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