(E)-3-[3-(3-nitrophenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate

Formula:C16H10N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(3-nitrophenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[3-(3-nitrophenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate
MolecularFormula	C16H10N3O4
Smiles	[O-]C(/C=C/c1c(cccc2)n2c(-c2cccc([N+]([O-])=O)c2)n1)=O
InChI	InChI=1S/C16H11N3O4/c20-15(21)8-7-13-14-6-1-2-9-18(14)16(17-13)11-4-3-5-12(10-11)19(22)23/h1-10H,(H,20,21)/p-1
InChIK	IIGIQBWHQQNSHJ-UHFFFAOYSA-M
TotalMolweight	308.272
Molweight	308.272
MonoisotopicMass	308.067132
CLogP	-0.8989
CLogS	-5.65
H Acceptors	7
TotalSurfaceArea	232.48
Relative PSA	0.32975
PolarSurfaceArea	103.25
Druglikeness	-3.1595
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52174
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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