Molecule

ID:78534

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂N₂O
Molecular Mass
176.98818
Exact Mass
175.95441805
Charge
0
InChI
InChI=1S/C5H2Cl2N2O/c6-4-1-8-3(2-10)5(7)9-4/h1-2H
InChIKey
MFMMFTVFMSLGAM-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cnc1C=O
Isomeric Smiles
n1c(c(ncc1Cl)C=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5733901
LogD (pH = 7.4)
1.5733901
Log P
1.5733901
Molar Refractivity
39.6752
Polarizability
14.547066
Polar Surface Area
42.85
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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