Molecule

ID:41330

General Information

Structure

MolImage

Molecular Formula

C₃H₈ClNO₂

Molecular Mass

125.55412

Exact Mass

125.02435618

Charge

0

InChI

InChI=1S/C3H7NO2.ClH/c5-3-1-4-6-2-3;/h3-5H,1-2H2;1H

InChIKey

LLCWGQYEQKYRDO-UHFFFAOYSA-N

Canonic Smiles

OC1CONC1.Cl

Isomeric Smiles

N1OCC(C1)O.Cl

Calculated Properties

JChem

Acid pKa

13.958145

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-0.96700966

LogD (pH = 7.4)

-0.94106066

Log P

-0.9407195

Molar Refractivity

30.652

Polarizability

8.425252

Polar Surface Area

41.49

Rotatable Bonds

0

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