N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(3-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C28H20N3O5Br Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(3-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(3-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C28H20N3O5Br
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1ccc(-c2cccc(Br)c2)o1
InChI	InChI=1S/C28H20BrN3O5/c29-21-8-4-7-20(15-21)24-12-10-22(37-24)16-30-32-28(34)23(31-27(33)19-5-2-1-3-6-19)13-18-9-11-25-26(14-18)36-17-35-25/h1-16H,17H2,(H,31,33)(H,32,34)
InChIK	QIOQGPCFRQLCIA-UHFFFAOYSA-N
TotalMolweight	558.387
Molweight	558.387
MonoisotopicMass	557.058633
CLogP	6.5938
CLogS	-8.471
H Acceptors	8
H Donors	2
TotalSurfaceArea	389.01
Relative PSA	0.24323
PolarSurfaceArea	102.16
Druglikeness	6.2033
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
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-[(2Z)-2-[[5-(3-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(3-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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