Molecule

ID:76441

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₂N₃O
Molecular Mass
242.0615
Exact Mass
240.98096716
Charge
0
InChI
InChI=1S/C9H5Cl2N3O/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h1-5H
InChIKey
ACMVCGAZNQJQFJ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Oc2ccccc2)nc(n1)Cl
Isomeric Smiles
n1c(nc(nc1Cl)Cl)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8519058
LogD (pH = 7.4)
3.8519058
Log P
3.8519058
Molar Refractivity
59.7056
Polarizability
22.09891
Polar Surface Area
47.9
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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