(4E)-4-[(5-nitrothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

Formula:C14H8N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[(5-nitrothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-[(5-nitrothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
MolecularFormula	C14H8N2O4S
Smiles	[O-][N+](c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)s1)=O
InChI	InChI=1S/C14H8N2O4S/c17-14-11(8-10-6-7-12(21-10)16(18)19)15-13(20-14)9-4-2-1-3-5-9/h1-8H
InChIK	MCDPBHLJCDQHKS-UHFFFAOYSA-N
TotalMolweight	300.294
Molweight	300.294
MonoisotopicMass	300.020478
CLogP	1.7264
CLogS	-4.539
H Acceptors	6
TotalSurfaceArea	214.56
Relative PSA	0.3977
PolarSurfaceArea	112.72
Druglikeness	-2.8798
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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