5-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiophene-2-carboxamide

Formula:C14H10N3O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiophene-2-carboxamide is a drug-like molecule.

MolName	5-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
MolecularFormula	C14H10N3O3BrS
Smiles	[O-][N+](c1c(/C=C/C=N\NC(c(s2)ccc2Br)=O)cccc1)=O
InChI	InChI=1S/C14H10BrN3O3S/c15-13-8-7-12(22-13)14(19)17-16-9-3-5-10-4-1-2-6-11(10)18(20)21/h1-9H,(H,17,19)
InChIK	MUFHZOJNBNMNDA-UHFFFAOYSA-N
TotalMolweight	380.221
Molweight	380.221
MonoisotopicMass	378.962623
CLogP	3.0948
CLogS	-5.334
H Acceptors	6
H Donors	1
TotalSurfaceArea	251.73
Relative PSA	0.34477
PolarSurfaceArea	115.52
Druglikeness	-2.6117
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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1 - 5-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiophene-2-carboxamide | 2 - 5-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiophene-2-carboxamide

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