Molecule

ID:28985

General Information

Structure

Molecular Formula

C₁₅H₂₅N

Molecular Mass

219.3657

Exact Mass

219.19869981

Charge

0

InChI

InChI=1S/C15H25N/c1-3-4-5-6-7-8-13-16-15-11-9-14(2)10-12-15/h9-12,16H,3-8,13H2,1-2H3

InChIKey

HMWJFEAMVBDZGJ-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCNc1ccc(cc1)C

Isomeric Smiles

c1(NCCCCCCCC)ccc(cc1)C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

4.8442235

LogD (pH = 7.4)

5.058075

Log P

5.061619

Molar Refractivity

73.5706

Polarizability

28.037632

Polar Surface Area

12.03

Rotatable Bonds

8

Lipinski's Rule of Five

false

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