Molecule

ID:26972

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₂O
Molecular Mass
205.04134
Exact Mass
203.98571818
Charge
0
InChI
InChI=1S/C7H6Cl2N2O/c8-3-7(12)11-6-2-1-5(9)4-10-6/h1-2,4H,3H2,(H,10,11,12)
InChIKey
FWIPEIVJWOOWGO-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cn1)Cl
Isomeric Smiles
N(c1ncc(Cl)cc1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
11.838363
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.728966
LogD (pH = 7.4)
1.7291126
Log P
1.7291298
Molar Refractivity
48.6356
Polarizability
18.145847
Polar Surface Area
41.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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