N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-bromobenzamide

Formula:C17H14N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-bromobenzamide is a drug-like molecule.

MolName	N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-bromobenzamide
MolecularFormula	C17H14N3O4Br
Smiles	O=C(CNC(c(cccc1)c1Br)=O)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C17H14BrN3O4/c18-13-4-2-1-3-12(13)17(23)19-9-16(22)21-20-8-11-5-6-14-15(7-11)25-10-24-14/h1-8H,9-10H2,(H,19,23)(H,21,22)
InChIK	AFUZDKWDTPYAMR-UHFFFAOYSA-N
TotalMolweight	404.219
Molweight	404.219
MonoisotopicMass	403.016768
CLogP	3.1219
CLogS	-5.033
H Acceptors	7
H Donors	2
TotalSurfaceArea	268.85
Relative PSA	0.29946
PolarSurfaceArea	89.02
Druglikeness	3.4039
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
StereoCon

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