(E)-4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobut-2-enoic acid

Formula:C13H10N2O4 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobut-2-enoic acid
MolecularFormula	C13H10N2O4
Smiles	OC(/C=C/C(Nc(cc1)ccc1-c1cnco1)=O)=O
InChI	InChI=1S/C13H10N2O4/c16-12(5-6-13(17)18)15-10-3-1-9(2-4-10)11-7-14-8-19-11/h1-8H,(H,15,16)(H,17,18)
InChIK	SQBLWROCPUNQKR-UHFFFAOYSA-N
TotalMolweight	258.232
Molweight	258.232
MonoisotopicMass	258.064058
CLogP	1.0662
CLogS	-2.972
H Acceptors	6
H Donors	2
TotalSurfaceArea	201.28
Relative PSA	0.37619
PolarSurfaceArea	92.43
Druglikeness	1.3443
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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