N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]hexanediamide

Formula:C20H20N4O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]hexanediamide is not a drug-like molecule.

MolNameN,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]hexanediamide
MolecularFormulaC20H20N4O2Cl2
SmilesO=C(CCCCC(N/N=C\c(cc1)ccc1Cl)=O)N/N=C\c(cc1)ccc1Cl
InChIInChI=1S/C20H20Cl2N4O2/c21-17-9-5-15(6-10-17)13-23-25-19(27)3-1-2-4-20(28)26-24-14-16-7-11-18(22)12-8-16/h5-14H,1-4H2,(H,25,27)(H,26,28)
InChIKJQDRYFONUTVJNC-UHFFFAOYSA-N
TotalMolweight419.311
Molweight419.311
MonoisotopicMass418.09633
CLogP5.568
CLogS-6.67
H Acceptors6
H Donors2
TotalSurfaceArea326.84
Relative PSA0.22035
PolarSurfaceArea82.92
Druglikeness-4.103
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.78571
Fragments1
Non HAtoms28
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms16
StereoCon

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