Molecule

ID:51019

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂N₂O
Molecular Mass
191.01476
Exact Mass
189.97006812
Charge
0
InChI
InChI=1S/C6H4Cl2N2O/c7-4-2-10-5(8)1-3(4)6(9)11/h1-2H,(H2,9,11)
InChIKey
NSBRJOGTPZIJSE-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)C(=O)N)Cl
Isomeric Smiles
c1(C(=O)N)c(cnc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
12.1308975
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0344803
LogD (pH = 7.4)
1.0344874
Log P
1.0344802
Molar Refractivity
43.6504
Polarizability
16.262419
Polar Surface Area
55.98
Rotatable Bonds
1
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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