Molecule

ID:110810

General Information

Structure

MolImage

Molecular Formula

C₁₈H₃₉NO₂

Molecular Mass

301.50776

Exact Mass

301.29807949

Charge

0

InChI

InChI=1S/C16H35N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h2-17H2,1H3;1H3,(H,3,4)

InChIKey

ANRCSZILOHNONR-UHFFFAOYSA-N

Canonic Smiles

CC(=O)O.CCCCCCCCCCCCCCCCN

Isomeric Smiles

CC(=O)O.CCCCCCCCCCCCCCCCN

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.009276

LogD (pH = 7.4)

3.4290524

Log P

6.033264

Molar Refractivity

79.0044

Polarizability

31.812483

Polar Surface Area

26.02

Rotatable Bonds

14

Lipinski's Rule of Five

false

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