Molecule

ID:37013

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₄N₂
Molecular Mass
348.0546
Exact Mass
345.95980905
Charge
0
InChI
InChI=1S/C14H10Cl4N2/c15-9-3-1-7(5-11(9)19)13(14(17)18)8-2-4-10(16)12(20)6-8/h1-6H,19-20H2
InChIKey
DQQNFSVKBFFWEK-UHFFFAOYSA-N
Canonic Smiles
ClC(=C(c1ccc(c(c1)N)Cl)c1ccc(c(c1)N)Cl)Cl
Isomeric Smiles
c1(c(ccc(c1)C(=C(Cl)Cl)c1ccc(c(c1)N)Cl)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.4473248
LogD (pH = 7.4)
4.447707
Log P
4.4477124
Molar Refractivity
108.707
Polarizability
33.178955
Polar Surface Area
52.04
Rotatable Bonds
2
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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