Molecule

ID:18279

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₅NO

Molecular Mass

165.2322

Exact Mass

165.11536411

Charge

0

InChI

InChI=1S/C10H15NO/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6,8H,7,11H2,1-2H3

InChIKey

XWYOPVIODQBPPI-UHFFFAOYSA-N

Canonic Smiles

CC(COc1cccc(c1)N)C

Isomeric Smiles

c1c(OCC(C)C)cccc1N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.2151692

LogD (pH = 7.4)

2.2307494

Log P

2.2309518

Molar Refractivity

50.9658

Polarizability

19.52002

Polar Surface Area

35.25

Rotatable Bonds

3

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