Molecule

ID:84504

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂N₂O
Molecular Mass
191.01476
Exact Mass
189.97006812
Charge
0
InChI
InChI=1S/C6H4Cl2N2O/c7-5-1-4(3-9-11)2-6(8)10-5/h1-3,11H
InChIKey
KYCMTKGZRVUCGM-UHFFFAOYSA-N
Canonic Smiles
O/N=C/c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)/C=N/O)Cl
Calculated Properties
JChem
Acid pKa
8.338183
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1253684
LogD (pH = 7.4)
2.0788188
Log P
2.1259992
Molar Refractivity
46.039
Polarizability
16.67508
Polar Surface Area
45.48
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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