4-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanamide

Formula:C19H18N2O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanamide is a drug-like molecule.

MolName4-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanamide
MolecularFormulaC19H18N2O2Cl2
SmilesO=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C19H18Cl2N2O2/c20-16-10-11-18(17(21)14-16)25-13-5-9-19(24)23-22-12-4-8-15-6-2-1-3-7-15/h1-4,6-8,10-12,14H,5,9,13H2,(H,23,24)
InChIKGDRJVUSIDRDHKI-UHFFFAOYSA-N
TotalMolweight377.27
Molweight377.27
MonoisotopicMass376.074532
CLogP4.9156
CLogS-5.805
H Acceptors4
H Donors1
TotalSurfaceArea295.61
Relative PSA0.15564
PolarSurfaceArea50.69
Druglikeness0.22101
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.76
Fragments1
Non HAtoms25
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms2
StereoCon

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