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

Formula:C13H8N2O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate
MolecularFormula	C13H8N2O3BrS
Smiles	[O-]C(/C=C/C(Nc1nc(-c(cc2)ccc2Br)cs1)=O)=O
InChI	InChI=1S/C13H9BrN2O3S/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	SHIOQVXKJKEVRT-UHFFFAOYSA-M
TotalMolweight	352.188
Molweight	352.188
MonoisotopicMass	350.943899
CLogP	0.7683
CLogS	-4.09
H Acceptors	5
H Donors	1
TotalSurfaceArea	227.34
Relative PSA	0.36575
PolarSurfaceArea	110.36
Druglikeness	-0.20083
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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