4-bromo-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide

Formula:C16H12N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide is a drug-like molecule.

MolName	4-bromo-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
MolecularFormula	C16H12N3O4Br
Smiles	[O-][N+](c1cccc(/C=C/C(NNC(c(cc2)ccc2Br)=O)=O)c1)=O
InChI	InChI=1S/C16H12BrN3O4/c17-13-7-5-12(6-8-13)16(22)19-18-15(21)9-4-11-2-1-3-14(10-11)20(23)24/h1-10H,(H,18,21)(H,19,22)
InChIK	BILGDDSEQRDTNJ-UHFFFAOYSA-N
TotalMolweight	390.192
Molweight	390.192
MonoisotopicMass	389.001118
CLogP	1.7504
CLogS	-4.974
H Acceptors	7
H Donors	2
TotalSurfaceArea	260.24
Relative PSA	0.30518
PolarSurfaceArea	104.02
Druglikeness	-6.3245
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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