Molecule

ID:81063

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₃N₂
Molecular Mass
297.56708
Exact Mass
295.96748127
Charge
0
InChI
InChI=1S/C13H7Cl3N2/c14-8-5-9(15)7-10(6-8)18-13(16)11-3-1-2-4-12(11)17-18/h1-7H
InChIKey
NWZQHEKVAFBDLP-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)n1nc2c(c1Cl)cccc2
Isomeric Smiles
n1(c2cc(cc(c2)Cl)Cl)c(c2ccccc2n1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9615326
LogD (pH = 7.4)
4.961536
Log P
4.961536
Molar Refractivity
74.9134
Polarizability
30.561674
Polar Surface Area
17.82
Rotatable Bonds
1
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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