Molecule

ID:87795

General Information

Structure

Molecular Formula

C₁₂H₁₉N

Molecular Mass

177.28596

Exact Mass

177.15174961

Charge

0

InChI

InChI=1S/C12H19N/c1-9(2)11-8-6-7-10(3)12(11)13(4)5/h6-9H,1-5H3

InChIKey

XTYKPEMLMDLYKC-UHFFFAOYSA-N

Canonic Smiles

CC(c1cccc(c1N(C)C)C)C

Isomeric Smiles

N(c1c(cccc1C)C(C)C)(C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.6689022

LogD (pH = 7.4)

3.8370924

Log P

3.8397202

Molar Refractivity

59.7186

Polarizability

22.41383

Polar Surface Area

3.24

Rotatable Bonds

2

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