Molecule

ID:80287

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀Cl₃N
Molecular Mass
322.6163
Exact Mass
320.98788237
Charge
0
InChI
InChI=1S/C16H10Cl3N/c1-9-12(17)8-7-11-14(18)13(16(19)20-15(9)11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
PWRCVVCXUMOSPJ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(c(c1c1ccccc1)Cl)ccc(c2C)Cl
Isomeric Smiles
n1c(c(c(c2ccc(c(c12)C)Cl)Cl)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.3238583
LogD (pH = 7.4)
6.3238583
Log P
6.3238583
Molar Refractivity
85.6324
Polarizability
35.348007
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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