(E)-4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]but-2-enoate

Formula:C13H9N2O3S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]but-2-enoate is a drug-like molecule.

MolName	(E)-4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]but-2-enoate
MolecularFormula	C13H9N2O3S
Smiles	[O-]C(/C=C/C(Nc1nc(-c2ccccc2)cs1)=O)=O
InChI	InChI=1S/C13H10N2O3S/c16-11(6-7-12(17)18)15-13-14-10(8-19-13)9-4-2-1-3-5-9/h1-8H,(H,17,18)(H,14,15,16)/p-1
InChIK	QHOGPVCLQLWLMW-UHFFFAOYSA-M
TotalMolweight	273.291
Molweight	273.291
MonoisotopicMass	273.033388
CLogP	0.0431
CLogS	-3.256
H Acceptors	5
H Donors	1
TotalSurfaceArea	208.71
Relative PSA	0.3984
PolarSurfaceArea	110.36
Druglikeness	1.5892
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
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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