Molecule

ID:60203

General Information

Structure

MolImage

Molecular Formula

C₄H₈ClNO

Molecular Mass

121.56542

Exact Mass

121.02944156

Charge

0

InChI

InChI=1S/C4H8ClNO/c1-6-4(7)2-3-5/h2-3H2,1H3,(H,6,7)

InChIKey

UZWXYEHTFDWCIS-UHFFFAOYSA-N

Canonic Smiles

CNC(=O)CCCl

Isomeric Smiles

C(=O)(CCCl)NC

Calculated Properties

JChem

Acid pKa

14.073537

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.032255728

LogD (pH = 7.4)

-0.0322558

Log P

-0.032255717

Molar Refractivity

28.8152

Polarizability

11.203523

Polar Surface Area

29.1

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