N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-nitrophenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C25H20N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-nitrophenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-nitrophenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C25H20N4O6
Smiles	C=C(c1cccc([N+]([O-])=O)c1)NNC(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C25H20N4O6/c1-16(19-8-5-9-20(14-19)29(32)33)27-28-25(31)21(26-24(30)18-6-3-2-4-7-18)12-17-10-11-22-23(13-17)35-15-34-22/h2-14,27H,1,15H2,(H,26,30)(H,28,31)
InChIK	JBPXCTWRQQUOCB-UHFFFAOYSA-N
TotalMolweight	472.456
Molweight	472.456
MonoisotopicMass	472.138286
CLogP	2.9368
CLogS	-6.551
H Acceptors	10
H Donors	3
TotalSurfaceArea	354.05
Relative PSA	0.31318
PolarSurfaceArea	134.51
Druglikeness	-3.5134
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-nitrophenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-nitrophenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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