Molecule

ID:69059

General Information

Structure

Molecular Formula

C₁₃H₁₃N

Molecular Mass

183.24902

Exact Mass

183.10479942

Charge

0

InChI

InChI=1S/C13H13N/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,14H,1H3

InChIKey

CARILLOXVAEKID-UHFFFAOYSA-N

Canonic Smiles

CNc1ccccc1c1ccccc1

Isomeric Smiles

c1(c(cccc1)NC)c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.070926

LogD (pH = 7.4)

3.092961

Log P

3.0932493

Molar Refractivity

61.388

Polarizability

24.443628

Polar Surface Area

12.03

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