(E)-4-[4-chloro-3-(thiophene-2-carbonylamino)anilino]-4-oxobut-2-enoate

Formula:C15H10N2O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[4-chloro-3-(thiophene-2-carbonylamino)anilino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[4-chloro-3-(thiophene-2-carbonylamino)anilino]-4-oxobut-2-enoate
MolecularFormula	C15H10N2O4ClS
Smiles	[O-]C(/C=C/C(Nc(cc1)cc(NC(c2cccs2)=O)c1Cl)=O)=O
InChI	InChI=1S/C15H11ClN2O4S/c16-10-4-3-9(17-13(19)5-6-14(20)21)8-11(10)18-15(22)12-2-1-7-23-12/h1-8H,(H,17,19)(H,18,22)(H,20,21)/p-1
InChIK	JDJXEYFUOLDOEA-UHFFFAOYSA-M
TotalMolweight	349.773
Molweight	349.773
MonoisotopicMass	349.00498
CLogP	0.2877
CLogS	-4.003
H Acceptors	6
H Donors	2
TotalSurfaceArea	254.58
Relative PSA	0.37976
PolarSurfaceArea	126.57
Druglikeness	2.2267
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	2
AcidicOxygens	1
StereoCon

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