Molecule

ID:54537

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂NO₂
Molecular Mass
194.0154
Exact Mass
192.96973377
Charge
0
InChI
InChI=1S/C6H5Cl2NO2/c7-3-1-5(11)6(8)9-4(3)2-10/h1,10-11H,2H2
InChIKey
YWXKGQHEXLFGDI-UHFFFAOYSA-N
Canonic Smiles
OCc1nc(Cl)c(cc1Cl)O
Isomeric Smiles
c1(c(nc(c(c1)O)Cl)CO)Cl
Calculated Properties
JChem
Acid pKa
6.517904
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1555569
LogD (pH = 7.4)
0.32879433
Log P
1.1943967
Molar Refractivity
42.8466
Polarizability
16.51323
Polar Surface Area
53.35
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
References
Bioactivity
Navigation