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

Formula:C16H11NO4Cl2 Mutagenic:low Tumorigenic:high Reproductive Effective:high (E)-4-[4-(2,4-dichlorophenoxy)anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[4-(2,4-dichlorophenoxy)anilino]-4-oxobut-2-enoic acid
MolecularFormula	C16H11NO4Cl2
Smiles	OC(/C=C/C(Nc(cc1)ccc1Oc(ccc(Cl)c1)c1Cl)=O)=O
InChI	InChI=1S/C16H11Cl2NO4/c17-10-1-6-14(13(18)9-10)23-12-4-2-11(3-5-12)19-15(20)7-8-16(21)22/h1-9H,(H,19,20)(H,21,22)
InChIK	FGSOGUFVJAZBNH-UHFFFAOYSA-N
TotalMolweight	352.172
Molweight	352.172
MonoisotopicMass	351.006513
CLogP	3.3512
CLogS	-5.514
H Acceptors	5
H Donors	2
TotalSurfaceArea	253.67
Relative PSA	0.23905
PolarSurfaceArea	75.63
Druglikeness	1.1879
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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