(E)-3-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide

Formula:C11H9N4OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
MolecularFormula	C11H9N4OBr
Smiles	O=C(/C=C/c(cc1)ccc1Br)Nn1cnnc1
InChI	InChI=1S/C11H9BrN4O/c12-10-4-1-9(2-5-10)3-6-11(17)15-16-7-13-14-8-16/h1-8H,(H,15,17)
InChIK	FCUGDFVFCXQINP-UHFFFAOYSA-N
TotalMolweight	293.123
Molweight	293.123
MonoisotopicMass	291.995972
CLogP	1.726
CLogS	-5.359
H Acceptors	5
H Donors	1
TotalSurfaceArea	194.08
Relative PSA	0.27468
PolarSurfaceArea	59.81
Druglikeness	0.55203
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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