N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C21H16N5O5Cl Mutagenic:high Tumorigenic:none Reproductive Effective:high N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C21H16N5O5Cl
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)NNC(C=NNC1=O)=C1Cl
InChI	InChI=1S/C21H16ClN5O5/c22-18-15(10-23-26-21(18)30)25-27-20(29)14(24-19(28)13-4-2-1-3-5-13)8-12-6-7-16-17(9-12)32-11-31-16/h1-10H,11H2,(H,24,28)(H,27,29)(H2,25,26,30)
InChIK	MCGFWYLCGWFIJW-UHFFFAOYSA-N
TotalMolweight	453.841
Molweight	453.841
MonoisotopicMass	453.083997
CLogP	1.7769
CLogS	-5.92
H Acceptors	10
H Donors	4
TotalSurfaceArea	326.68
Relative PSA	0.35653
PolarSurfaceArea	130.15
Druglikeness	5.2548
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	2-halo-enone
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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