Molecule

ID:32172

General Information

Structure

Molecular Formula

C₉H₁₆BrNO

Molecular Mass

234.13344

Exact Mass

233.04152614

Charge

0

InChI

InChI=1S/C9H16BrNO/c1-8(10)9(12)11-6-4-2-3-5-7-11/h8H,2-7H2,1H3

InChIKey

NYZCLWFRNWNHCT-UHFFFAOYSA-N

Canonic Smiles

CC(C(=O)N1CCCCCC1)Br

Isomeric Smiles

C(=O)(N1CCCCCC1)C(Br)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.003602

LogD (pH = 7.4)

2.003602

Log P

2.003602

Molar Refractivity

53.2329

Polarizability

20.537344

Polar Surface Area

20.31

Rotatable Bonds

1

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