Molecule

ID:63522

General Information
Structure
MolImage
Molecular Formula
C₉H₃Cl₂N₃
Molecular Mass
224.04622
Exact Mass
222.97040247
Charge
0
InChI
InChI=1S/C9H3Cl2N3/c10-8-1-6-7(4-14-8)13-3-5(2-12)9(6)11/h1,3-4H
InChIKey
OKYQWZDOLIYAHN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc2c(c1Cl)cc(nc2)Cl
Isomeric Smiles
Clc1ncc2ncc(C#N)c(Cl)c2c1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1975906
LogD (pH = 7.4)
2.1975908
Log P
2.1975908
Molar Refractivity
54.2149
Polarizability
21.725649
Polar Surface Area
49.57
Rotatable Bonds
0
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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