N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

Formula:C16H14N3O3Br Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
MolecularFormula	C16H14N3O3Br
Smiles	O=C(CNC(c1ccco1)=O)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C16H14BrN3O3/c17-13(9-12-5-2-1-3-6-12)10-19-20-15(21)11-18-16(22)14-7-4-8-23-14/h1-10H,11H2,(H,18,22)(H,20,21)
InChIK	VLVIDBDKEPVCHZ-UHFFFAOYSA-N
TotalMolweight	376.209
Molweight	376.209
MonoisotopicMass	375.021853
CLogP	2.0849
CLogS	-4.295
H Acceptors	6
H Donors	2
TotalSurfaceArea	262.99
Relative PSA	0.28374
PolarSurfaceArea	83.7
Druglikeness	0.075021
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide | 2 - N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

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