(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate

Formula:C16H11N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate
MolecularFormula	C16H11N3O5S
Smiles	[O-][N+](c1cccc(/C=C/C(OCC(N=C2SC=CN22)=CC2=O)=O)c1)=O
InChI	InChI=1S/C16H11N3O5S/c20-14-9-12(17-16-18(14)6-7-25-16)10-24-15(21)5-4-11-2-1-3-13(8-11)19(22)23/h1-9H,10H2
InChIK	FKGSQFILYQNOPE-UHFFFAOYSA-N
TotalMolweight	357.345
Molweight	357.345
MonoisotopicMass	357.041942
CLogP	0.8692
CLogS	-4.21
H Acceptors	8
TotalSurfaceArea	257.66
Relative PSA	0.38442
PolarSurfaceArea	130.09
Druglikeness	-6.1009
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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