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

Formula:C16H11N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
MolecularFormula	C16H11N3O4
Smiles	[O-][N+](c1cc(-c2c(/C=C/C(O)=O)n(cccc3)c3n2)ccc1)=O
InChI	InChI=1S/C16H11N3O4/c20-15(21)8-7-13-16(17-14-6-1-2-9-18(13)14)11-4-3-5-12(10-11)19(22)23/h1-10H,(H,20,21)
InChIK	ITJRULPLDXQEKP-UHFFFAOYSA-N
TotalMolweight	309.28
Molweight	309.28
MonoisotopicMass	309.074957
CLogP	1.1286
CLogS	-5.542
H Acceptors	7
H Donors	1
TotalSurfaceArea	231.3
Relative PSA	0.32633
PolarSurfaceArea	100.42
Druglikeness	-2.564
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
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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