Molecule

ID:63750

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂O
Molecular Mass
179.00406
Exact Mass
177.97006812
Charge
0
InChI
InChI=1S/C5H4Cl2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3
InChIKey
IJQIGKLDBGKSNT-UHFFFAOYSA-N
Canonic Smiles
COc1c(Cl)ncnc1Cl
Isomeric Smiles
c1(c(ncnc1Cl)Cl)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5405078
LogD (pH = 7.4)
1.5405079
Log P
1.5405079
Molar Refractivity
40.9177
Polarizability
15.144127
Polar Surface Area
35.01
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