(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-(3-nitrophenyl)-1,2-oxazol-5-one

Formula:C20H19N3O4 Mutagenic:high Tumorigenic:low Reproductive Effective:none (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-(3-nitrophenyl)-1,2-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-(3-nitrophenyl)-1,2-oxazol-5-one
MolecularFormula	C20H19N3O4
Smiles	CCN(CC)c1ccc(/C=C(/C(c2cccc([N+]([O-])=O)c2)=NO2)\C2=O)cc1
InChI	InChI=1S/C20H19N3O4/c1-3-22(4-2)16-10-8-14(9-11-16)12-18-19(21-27-20(18)24)15-6-5-7-17(13-15)23(25)26/h5-13H,3-4H2,1-2H3/b18-12-
InChIK	KJGCKRPBDFWIJD-PDGQHHTCSA-N
TotalMolweight	365.388
Molweight	365.388
MonoisotopicMass	365.137557
CLogP	3.5781
CLogS	-5.267
H Acceptors	7
TotalSurfaceArea	280.96
Relative PSA	0.24388
PolarSurfaceArea	87.72
Druglikeness	-4.2503
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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