Molecule

ID:20119

General Information

Structure

Molecular Formula

C₁₁H₁₇NO₂

Molecular Mass

195.25818

Exact Mass

195.12592879

Charge

0

InChI

InChI=1S/C11H17NO2/c1-2-7-13-8-9-14-11-5-3-10(12)4-6-11/h3-6H,2,7-9,12H2,1H3

InChIKey

FBQMMETVMOOPQO-UHFFFAOYSA-N

Canonic Smiles

CCCOCCOc1ccc(cc1)N

Isomeric Smiles

c1(N)ccc(cc1)OCCOCCC

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

1.6997751

LogD (pH = 7.4)

1.8172765

Log P

1.8190035

Molar Refractivity

57.5377

Polarizability

22.041954

Polar Surface Area

44.48

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity