N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]hydrazinyl]prop-1-en-2-yl]benzamide

Formula:C28H18N3O5Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]hydrazinyl]prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]hydrazinyl]prop-1-en-2-yl]benzamide
MolecularFormula	C28H18N3O5Cl3
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1ccc(-c(c(Cl)c2)cc(Cl)c2Cl)o1
InChI	InChI=1S/C28H18Cl3N3O5/c29-20-13-22(31)21(30)12-19(20)24-9-7-18(39-24)14-32-34-28(36)23(33-27(35)17-4-2-1-3-5-17)10-16-6-8-25-26(11-16)38-15-37-25/h1-14H,15H2,(H,33,35)(H,34,36)
InChIK	QWBOVNGLICCAIT-UHFFFAOYSA-N
TotalMolweight	582.826
Molweight	582.826
MonoisotopicMass	581.031203
CLogP	7.6866
CLogS	-9.845
H Acceptors	8
H Donors	2
TotalSurfaceArea	416.64
Relative PSA	0.2271
PolarSurfaceArea	102.16
Druglikeness	8.0243
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]hydrazinyl]prop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]hydrazinyl]prop-1-en-2-yl]benzamide

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