N-[(E)-3-[(2Z)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

Formula:C25H18N3O3ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-3-[(2Z)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-[(2Z)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
MolecularFormula	C25H18N3O3ClS
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c1ccc(-c(cccc2)c2Cl)o1
InChI	InChI=1S/C25H18ClN3O3S/c26-21-11-5-4-10-20(21)23-13-12-18(32-23)16-27-29-25(31)22(15-19-9-6-14-33-19)28-24(30)17-7-2-1-3-8-17/h1-16H,(H,28,30)(H,29,31)
InChIK	AYLXYPMDVRTTTB-UHFFFAOYSA-N
TotalMolweight	475.955
Molweight	475.955
MonoisotopicMass	475.075739
CLogP	6.2298
CLogS	-7.672
H Acceptors	6
H Donors	2
TotalSurfaceArea	361.48
Relative PSA	0.26275
PolarSurfaceArea	111.94
Druglikeness	9.1339
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(E)-3-[(2Z)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

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