N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Formula:C18H16N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.

MolName	N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
MolecularFormula	C18H16N3O4Br
Smiles	O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\c1cccc(Br)c1
InChI	InChI=1S/C18H16BrN3O4/c19-14-3-1-2-12(8-14)10-21-22-17(23)11-20-18(24)13-4-5-15-16(9-13)26-7-6-25-15/h1-5,8-10H,6-7,11H2,(H,20,24)(H,22,23)
InChIK	KEOSIUJMIBTZQW-UHFFFAOYSA-N
TotalMolweight	418.246
Molweight	418.246
MonoisotopicMass	417.032418
CLogP	2.9893
CLogS	-4.504
H Acceptors	7
H Donors	2
TotalSurfaceArea	282.61
Relative PSA	0.28488
PolarSurfaceArea	89.02
Druglikeness	-3.6462
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	1
StereoCon

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