Molecule

ID:79087

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂O
Molecular Mass
255.10002
Exact Mass
254.00136825
Charge
0
InChI
InChI=1S/C11H8Cl2N2O/c12-9-6-14-15(11(16)10(9)13)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
AJHBQZQCDCTOFD-UHFFFAOYSA-N
Canonic Smiles
Clc1cnn(c(=O)c1Cl)Cc1ccccc1
Isomeric Smiles
n1(c(=O)c(c(Cl)cn1)Cl)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7167478
LogD (pH = 7.4)
2.7167478
Log P
2.7167478
Molar Refractivity
65.0528
Polarizability
24.237923
Polar Surface Area
32.67
Rotatable Bonds
2
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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