Molecule

ID:79043

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₃N₂
Molecular Mass
287.57226
Exact Mass
285.98313134
Charge
0
InChI
InChI=1S/C12H8Cl2N2.ClH/c13-10-5-3-9(4-6-10)12(14)16-11-2-1-7-15-8-11;/h1-8H;1H
InChIKey
OBECWIAXDZRFOF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/C(=N/c1cccnc1)/Cl.Cl
Isomeric Smiles
N(=C(\c1ccc(cc1)Cl)/Cl)/c1cccnc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7049437
LogD (pH = 7.4)
3.7121959
Log P
3.712289
Molar Refractivity
68.5662
Polarizability
25.270126
Polar Surface Area
25.25
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
No Data Available
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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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