(E)-4-oxo-4-[4-[(E)-3-oxo-3-phenylprop-1-enyl]anilino]but-2-enoic acid

Formula:C19H15NO4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-4-oxo-4-[4-[(E)-3-oxo-3-phenylprop-1-enyl]anilino]but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-[4-[(E)-3-oxo-3-phenylprop-1-enyl]anilino]but-2-enoic acid
MolecularFormula	C19H15NO4
Smiles	OC(/C=C/C(Nc1ccc(/C=C/C(c2ccccc2)=O)cc1)=O)=O
InChI	InChI=1S/C19H15NO4/c21-17(15-4-2-1-3-5-15)11-8-14-6-9-16(10-7-14)20-18(22)12-13-19(23)24/h1-13H,(H,20,22)(H,23,24)
InChIK	AXLWZRFCZQRNOG-UHFFFAOYSA-N
TotalMolweight	321.331
Molweight	321.331
MonoisotopicMass	321.100109
CLogP	2.3878
CLogS	-3.969
H Acceptors	5
H Donors	2
TotalSurfaceArea	257.08
Relative PSA	0.24771
PolarSurfaceArea	83.47
Druglikeness	1.7794
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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