(Z)-4-(4-imidazo[1,2-a]pyridin-2-ylanilino)-4-oxobut-2-enoic acid

Formula:C17H13N3O3 Mutagenic:none Tumorigenic:high Reproductive Effective:high (Z)-4-(4-imidazo[1,2-a]pyridin-2-ylanilino)-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(Z)-4-(4-imidazo[1,2-a]pyridin-2-ylanilino)-4-oxobut-2-enoic acid
MolecularFormula	C17H13N3O3
Smiles	OC(/C=C\C(Nc(cc1)ccc1-c1cn(cccc2)c2n1)=O)=O
InChI	InChI=1S/C17H13N3O3/c21-16(8-9-17(22)23)18-13-6-4-12(5-7-13)14-11-20-10-2-1-3-15(20)19-14/h1-11H,(H,18,21)(H,22,23)
InChIK	XNVYLSQHVFTIIW-UHFFFAOYSA-N
TotalMolweight	307.308
Molweight	307.308
MonoisotopicMass	307.095692
CLogP	1.2659
CLogS	-4.804
H Acceptors	6
H Donors	2
TotalSurfaceArea	236.84
Relative PSA	0.2937
PolarSurfaceArea	83.7
Druglikeness	2.4583
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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