(4Z)-4-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one

Formula:C18H15N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
MolecularFormula	C18H15N3O4S
Smiles	[O-][N+](c(cc(/C=C1\N=C(c2cccs2)OC1=O)cc1)c1N1CCCC1)=O
InChI	InChI=1S/C18H15N3O4S/c22-18-13(19-17(25-18)16-4-3-9-26-16)10-12-5-6-14(15(11-12)21(23)24)20-7-1-2-8-20/h3-6,9-11H,1-2,7-8H2
InChIK	GAZUHFXMJOCBDS-UHFFFAOYSA-N
TotalMolweight	369.4
Molweight	369.4
MonoisotopicMass	369.078327
CLogP	2.0278
CLogS	-5.111
H Acceptors	7
TotalSurfaceArea	266.4
Relative PSA	0.33363
PolarSurfaceArea	115.96
Druglikeness	-0.71085
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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