(E)-4-(4-benzamido-3-chloroanilino)-4-oxobut-2-enoate

Formula:C17H12N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(4-benzamido-3-chloroanilino)-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-(4-benzamido-3-chloroanilino)-4-oxobut-2-enoate
MolecularFormula	C17H12N2O4Cl
Smiles	[O-]C(/C=C/C(Nc(cc1)cc(Cl)c1NC(c1ccccc1)=O)=O)=O
InChI	InChI=1S/C17H13ClN2O4/c18-13-10-12(19-15(21)8-9-16(22)23)6-7-14(13)20-17(24)11-4-2-1-3-5-11/h1-10H,(H,19,21)(H,20,24)(H,22,23)/p-1
InChIK	XNOSIEGOSCOCFJ-UHFFFAOYSA-M
TotalMolweight	343.745
Molweight	343.745
MonoisotopicMass	343.04856
CLogP	0.4211
CLogS	-3.993
H Acceptors	6
H Donors	2
TotalSurfaceArea	258.64
Relative PSA	0.29508
PolarSurfaceArea	98.33
Druglikeness	-0.058469
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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