Molecule

ID:112524

General Information

Structure

MolImage

Molecular Formula

C₃H₂Cl₆O

Molecular Mass

266.76538

Exact Mass

263.82368076

Charge

0

InChI

InChI=1S/C3H2Cl6O/c4-1(5)2(6,10)3(7,8)9/h1,10H

InChIKey

DLNLVHBGCDUBJX-UHFFFAOYSA-N

Canonic Smiles

ClC(C(C(Cl)(Cl)Cl)(Cl)O)Cl

Isomeric Smiles

OC(Cl)(C(Cl)Cl)C(Cl)(Cl)Cl

Calculated Properties

JChem

Acid pKa

8.874142

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.4534268

LogD (pH = 7.4)

3.439288

Log P

3.4536102

Molar Refractivity

47.2883

Polarizability

18.592054

Polar Surface Area

20.23

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

References

Bioactivity