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

Formula:C13H8N2O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate
MolecularFormula	C13H8N2O3ClS
Smiles	[O-]C(/C=C/C(Nc1nc(-c(cc2)ccc2Cl)cs1)=O)=O
InChI	InChI=1S/C13H9ClN2O3S/c14-9-3-1-8(2-4-9)10-7-20-13(15-10)16-11(17)5-6-12(18)19/h1-7H,(H,18,19)(H,15,16,17)/p-1
InChIK	SICCKMPTWLIUBA-UHFFFAOYSA-M
TotalMolweight	307.737
Molweight	307.737
MonoisotopicMass	306.994415
CLogP	0.6491
CLogS	-3.992
H Acceptors	5
H Donors	1
TotalSurfaceArea	224.13
Relative PSA	0.37099
PolarSurfaceArea	110.36
Druglikeness	1.6542
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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