Molecule

ID:109105

General Information
Structure
MolImage
Molecular Formula
C₄H₂Cl₂O₂
Molecular Mass
152.96348
Exact Mass
151.94318466
Charge
0
InChI
InChI=1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H
InChIKey
ZLYYJUJDFKGVKB-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)/C=C/C(=O)Cl
Isomeric Smiles
ClC(=O)/C=C/C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0257449
LogD (pH = 7.4)
1.0257449
Log P
1.0257449
Molar Refractivity
32.324
Polarizability
11.960739
Polar Surface Area
34.14
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
Navigation