(E)-4-oxo-4-(pyridin-4-ylamino)but-2-enoic acid

Formula:C9H8N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-(pyridin-4-ylamino)but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-(pyridin-4-ylamino)but-2-enoic acid
MolecularFormula	C9H8N2O3
Smiles	OC(/C=C/C(Nc1ccncc1)=O)=O
InChI	InChI=1S/C9H8N2O3/c12-8(1-2-9(13)14)11-7-3-5-10-6-4-7/h1-6H,(H,13,14)(H,10,11,12)
InChIK	MFQUQFKJYZRIFA-UHFFFAOYSA-N
TotalMolweight	192.174
Molweight	192.174
MonoisotopicMass	192.053493
CLogP	-0.2573
CLogS	-0.95
H Acceptors	5
H Donors	2
TotalSurfaceArea	151.83
Relative PSA	0.40578
PolarSurfaceArea	79.29
Druglikeness	1.1378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	14
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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