(4Z)-4-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]-4-phenylbutanoic acid

Formula:C20H20N2O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (4Z)-4-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.

MolName	(4Z)-4-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]-4-phenylbutanoic acid
MolecularFormula	C20H20N2O4Cl2
Smiles	OC(CC/C(/c1ccccc1)=N/NC(CCCOc(ccc(Cl)c1)c1Cl)=O)=O
InChI	InChI=1S/C20H20Cl2N2O4/c21-15-8-10-18(16(22)13-15)28-12-4-7-19(25)24-23-17(9-11-20(26)27)14-5-2-1-3-6-14/h1-3,5-6,8,10,13H,4,7,9,11-12H2,(H,24,25)(H,26,27)
InChIK	PYFLVHKIEYNTEC-UHFFFAOYSA-N
TotalMolweight	423.295
Molweight	423.295
MonoisotopicMass	422.080012
CLogP	4.4677
CLogS	-5.888
H Acceptors	6
H Donors	2
TotalSurfaceArea	318.94
Relative PSA	0.22622
PolarSurfaceArea	87.99
Druglikeness	-0.60473
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	acyl-hydrazone
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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