Molecule

ID:128820

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₇NO

Molecular Mass

179.25878

Exact Mass

179.13101417

Charge

0

InChI

InChI=1S/C11H17NO/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3

InChIKey

CCAMEVFYMFXHEN-UHFFFAOYSA-N

Canonic Smiles

CCOc1ccc(cc1)CC(N)C

Isomeric Smiles

O(c1ccc(cc1)CC(N)C)CC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.016447

LogD (pH = 7.4)

-0.490471

Log P

2.0033872

Molar Refractivity

54.917

Polarizability

21.681389

Polar Surface Area

35.25

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

References

Bioactivity