(E)-3-[6-bromo-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

Formula:C16H10N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-[6-bromo-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[6-bromo-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
MolecularFormula	C16H10N3O4Br
Smiles	[O-][N+](c1cccc(-c2c(/C=C/C(O)=O)n(cc(cc3)Br)c3n2)c1)=O
InChI	InChI=1S/C16H10BrN3O4/c17-11-4-6-14-18-16(10-2-1-3-12(8-10)20(23)24)13(19(14)9-11)5-7-15(21)22/h1-9H,(H,21,22)
InChIK	IBCBSJSLUSSMDF-UHFFFAOYSA-N
TotalMolweight	388.176
Molweight	388.176
MonoisotopicMass	386.985468
CLogP	1.8538
CLogS	-6.376
H Acceptors	7
H Donors	1
TotalSurfaceArea	249.93
Relative PSA	0.302
PolarSurfaceArea	100.42
Druglikeness	-8.1279
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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