Molecule

ID:79091

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₃N₂O
Molecular Mass
289.54508
Exact Mass
287.96239589
Charge
0
InChI
InChI=1S/C11H7Cl3N2O/c12-8-3-1-7(2-4-8)6-16-11(17)10(14)9(13)5-15-16/h1-5H,6H2
InChIKey
XSOGOLSMPSVKOL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Cn1ncc(c(c1=O)Cl)Cl
Isomeric Smiles
n1(c(=O)c(c(Cl)cn1)Cl)Cc1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3207924
LogD (pH = 7.4)
3.3207924
Log P
3.3207924
Molar Refractivity
69.8576
Polarizability
26.172926
Polar Surface Area
32.67
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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