(4E)-2-(4-chloro-3-nitrophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

Formula:C15H8N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(4-chloro-3-nitrophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(4-chloro-3-nitrophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
MolecularFormula	C15H8N3O4Cl
Smiles	[O-][N+](c(cc(cc1)C(OC2=O)=N/C2=C/c2cnccc2)c1Cl)=O
InChI	InChI=1S/C15H8ClN3O4/c16-11-4-3-10(7-13(11)19(21)22)14-18-12(15(20)23-14)6-9-2-1-5-17-8-9/h1-8H
InChIK	UEHRUUYVLMTINQ-UHFFFAOYSA-N
TotalMolweight	329.699
Molweight	329.699
MonoisotopicMass	329.020334
CLogP	1.2753
CLogS	-4.32
H Acceptors	7
TotalSurfaceArea	232.8
Relative PSA	0.3262
PolarSurfaceArea	97.37
Druglikeness	-4.0702
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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