N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Formula:C18H15N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is a drug-like molecule.

MolName	N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
MolecularFormula	C18H15N2O4Br
Smiles	O=C(C1Oc(cccc2)c2OC1)NNC(/C=C/c1cccc(Br)c1)=O
InChI	InChI=1S/C18H15BrN2O4/c19-13-5-3-4-12(10-13)8-9-17(22)20-21-18(23)16-11-24-14-6-1-2-7-15(14)25-16/h1-10,16H,11H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIK	ONURFLLWZDIIPX-INIZCTEOSA-N
TotalMolweight	403.231
Molweight	403.231
MonoisotopicMass	402.021519
CLogP	2.2141
CLogS	-4.536
H Acceptors	6
H Donors	2
TotalSurfaceArea	269.33
Relative PSA	0.25619
PolarSurfaceArea	76.66
Druglikeness	-0.29733
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
StereoCon	racemate

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1 - N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide | 2 - N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

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