(E)-4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate

Formula:C13H7N2O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate
MolecularFormula	C13H7N2O3Cl2S
Smiles	[O-]C(/C=C/C(Nc1nc(-c(ccc(Cl)c2)c2Cl)cs1)=O)=O
InChI	InChI=1S/C13H8Cl2N2O3S/c14-7-1-2-8(9(15)5-7)10-6-21-13(16-10)17-11(18)3-4-12(19)20/h1-6H,(H,19,20)(H,16,17,18)/p-1
InChIK	KWWHTIAWNRGNTM-UHFFFAOYSA-M
TotalMolweight	342.182
Molweight	342.182
MonoisotopicMass	340.955442
CLogP	1.2551
CLogS	-4.728
H Acceptors	5
H Donors	1
TotalSurfaceArea	239.55
Relative PSA	0.34711
PolarSurfaceArea	110.36
Druglikeness	1.6542
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (E)-4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate | 2 - (E)-4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate

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