N,N'-bis[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanediamide

Formula:C21H20N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanediamide is a drug-like molecule.

MolNameN,N'-bis[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanediamide
MolecularFormulaC21H20N4O2
SmilesO=C(CC(N/N=C\C=C\c1ccccc1)=O)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C21H20N4O2/c26-20(24-22-15-7-13-18-9-3-1-4-10-18)17-21(27)25-23-16-8-14-19-11-5-2-6-12-19/h1-16H,17H2,(H,24,26)(H,25,27)
InChIKJESSQFXYVVEVNE-UHFFFAOYSA-N
TotalMolweight360.416
Molweight360.416
MonoisotopicMass360.158626
CLogP3.0294
CLogS-4.972
H Acceptors6
H Donors2
TotalSurfaceArea307.72
Relative PSA0.23404
PolarSurfaceArea82.92
Druglikeness1.539
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.77778
Fragments1
Non HAtoms27
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms15
StereoCon

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