(E)-4-[4-(4-chlorophenoxy)anilino]-4-oxobut-2-enoic acid

Formula:C16H12NO4Cl Mutagenic:low Tumorigenic:none Reproductive Effective:low (E)-4-[4-(4-chlorophenoxy)anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[4-(4-chlorophenoxy)anilino]-4-oxobut-2-enoic acid
MolecularFormula	C16H12NO4Cl
Smiles	OC(/C=C/C(Nc(cc1)ccc1Oc(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C16H12ClNO4/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)18-15(19)9-10-16(20)21/h1-10H,(H,18,19)(H,20,21)
InChIK	QYHWXDNYHNFLSL-UHFFFAOYSA-N
TotalMolweight	317.727
Molweight	317.727
MonoisotopicMass	317.045486
CLogP	2.7452
CLogS	-4.778
H Acceptors	5
H Donors	2
TotalSurfaceArea	238.25
Relative PSA	0.25452
PolarSurfaceArea	75.63
Druglikeness	1.1879
Mutagenic	low
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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