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

Formula:C21H21N3O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-(2,4-dichlorophenoxy)-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]butanamide is a drug-like molecule.

MolName	4-(2,4-dichlorophenoxy)-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]butanamide
MolecularFormula	C21H21N3O3Cl2
Smiles	O=C(CCCOc(ccc(Cl)c1)c1Cl)NCC(N/N=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C21H21Cl2N3O3/c22-17-10-11-19(18(23)14-17)29-13-5-9-20(27)24-15-21(28)26-25-12-4-8-16-6-2-1-3-7-16/h1-4,6-8,10-12,14H,5,9,13,15H2,(H,24,27)(H,26,28)
InChIK	DGTAYEXPCHZZQK-UHFFFAOYSA-N
TotalMolweight	434.322
Molweight	434.322
MonoisotopicMass	433.095996
CLogP	3.9993
CLogS	-5.572
H Acceptors	6
H Donors	2
TotalSurfaceArea	338.58
Relative PSA	0.20825
PolarSurfaceArea	79.79
Druglikeness	1.4447
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.75862
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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