Molecule

ID:80012

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂Cl₄N₂
Molecular Mass
374.09188
Exact Mass
371.97545911
Charge
0
InChI
InChI=1S/C16H12Cl4N2/c17-11-7-5-10(6-8-11)14-9-15(16(18,19)20)22-13-4-2-1-3-12(13)21-14/h1-8,15,22H,9H2
InChIKey
SNHMOUTVZLFRSB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1=Nc2ccccc2NC(C1)C(Cl)(Cl)Cl
Isomeric Smiles
N1=C(c2ccc(cc2)Cl)CC(C(Cl)(Cl)Cl)Nc2ccccc12
Calculated Properties
JChem
Acid pKa
11.9476795
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.342554
LogD (pH = 7.4)
5.342725
Log P
5.3427396
Molar Refractivity
97.97
Polarizability
35.818855
Polar Surface Area
24.39
Rotatable Bonds
2
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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