Molecule

ID:84416

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂O
Molecular Mass
188.99888
Exact Mass
187.95441805
Charge
0
InChI
InChI=1S/C6H2Cl2N2O/c7-5-2-10(11)3-6(8)4(5)1-9/h2-3H
InChIKey
YBHDGHAIAKNNJU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)c[n+](cc1Cl)[O-]
Isomeric Smiles
[n+]1(cc(c(c(c1)Cl)C#N)Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5596018
LogD (pH = 7.4)
0.559602
Log P
0.559602
Molar Refractivity
42.9218
Polarizability
15.72282
Polar Surface Area
49.25
Rotatable Bonds
0
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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