(5E)-2-amino-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazol-4-one

Formula:C12H9N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-2-amino-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-2-amino-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazol-4-one
MolecularFormula	C12H9N3O3S
Smiles	NC(S/C1=C/C=C/c(cccc2)c2[N+]([O-])=O)=NC1=O
InChI	InChI=1S/C12H9N3O3S/c13-12-14-11(16)10(19-12)7-3-5-8-4-1-2-6-9(8)15(17)18/h1-7H,(H2,13,14,16)
InChIK	HQJURLKCMMBMLG-UHFFFAOYSA-N
TotalMolweight	275.287
Molweight	275.287
MonoisotopicMass	275.036462
CLogP	0.674
CLogS	-4.061
H Acceptors	6
H Donors	1
TotalSurfaceArea	201.37
Relative PSA	0.43567
PolarSurfaceArea	126.57
Druglikeness	-2.6199
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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