Molecule

ID:68899

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂N₂O₂
Molecular Mass
207.01416
Exact Mass
205.96498274
Charge
0
InChI
InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
InChIKey
FSGTULQLEVAYRS-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Cl)c(cc1N)Cl
Isomeric Smiles
Nc1c(cc(c(c1)Cl)Cl)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
14.965816
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9423933
LogD (pH = 7.4)
2.9423933
Log P
2.9423933
Molar Refractivity
46.6885
Polarizability
17.308432
Polar Surface Area
69.16
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