Molecule

ID:20132

General Information

Structure

Molecular Formula

C₁₄H₁₅NO

Molecular Mass

213.275

Exact Mass

213.11536411

Charge

0

InChI

InChI=1S/C14H15NO/c1-10-3-4-11(2)14(9-10)16-13-7-5-12(15)6-8-13/h3-9H,15H2,1-2H3

InChIKey

BAZJFRJWZAPKGB-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)Oc1cc(C)ccc1C

Isomeric Smiles

c1(Oc2ccc(N)cc2)c(ccc(c1)C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.636355

LogD (pH = 7.4)

3.6709898

Log P

3.67145

Molar Refractivity

67.0816

Polarizability

25.355335

Polar Surface Area

35.25

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