Molecule

ID:79104

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O
Molecular Mass
241.07344
Exact Mass
239.98571818
Charge
0
InChI
InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H
InChIKey
VKWCOHVAHQOJGU-UHFFFAOYSA-N
Canonic Smiles
Clc1cnn(c(=O)c1Cl)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(=O)c(c(Cl)cn1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.650233
LogD (pH = 7.4)
2.650233
Log P
2.650233
Molar Refractivity
60.2178
Polarizability
22.394611
Polar Surface Area
32.67
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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