(E,1E)-N-[2-(1,3-benzodioxole-5-carbonylamino)acetyl]-3-phenylprop-2-enehydrazonoyl bromide

Formula:C19H16N3O4Br Mutagenic:none Tumorigenic:low Reproductive Effective:none (E,1E)-N-[2-(1,3-benzodioxole-5-carbonylamino)acetyl]-3-phenylprop-2-enehydrazonoyl bromide is a drug-like molecule.

MolName	(E,1E)-N-[2-(1,3-benzodioxole-5-carbonylamino)acetyl]-3-phenylprop-2-enehydrazonoyl bromide
MolecularFormula	C19H16N3O4Br
Smiles	O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C(\C=C\c1ccccc1)/Br
InChI	InChI=1S/C19H16BrN3O4/c20-17(9-6-13-4-2-1-3-5-13)22-23-18(24)11-21-19(25)14-7-8-15-16(10-14)27-12-26-15/h1-10H,11-12H2,(H,21,25)(H,23,24)
InChIK	GERVYRXINMJNEI-UHFFFAOYSA-N
TotalMolweight	430.257
Molweight	430.257
MonoisotopicMass	429.032418
CLogP	2.7906
CLogS	-4.476
H Acceptors	7
H Donors	2
TotalSurfaceArea	293.56
Relative PSA	0.27425
PolarSurfaceArea	89.02
Druglikeness	0.34058
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-halogenide type; acyl-hydrazone
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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