(4E)-2-(1-adamantyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one

Formula:C20H20N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(1-adamantyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(1-adamantyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C20H20N2O4
Smiles	[O-][N+](c1cc(/C=C2/N=C(C3(CC(C4)C5)CC5CC4C3)OC2=O)ccc1)=O
InChI	InChI=1S/C20H20N2O4/c23-18-17(8-12-2-1-3-16(7-12)22(24)25)21-19(26-18)20-9-13-4-14(10-20)6-15(5-13)11-20/h1-3,7-8,13-15H,4-6,9-11H2
InChIK	DKFZACVMOIZPBV-UHFFFAOYSA-N
TotalMolweight	352.389
Molweight	352.389
MonoisotopicMass	352.142308
CLogP	2.1488
CLogS	-5.364
H Acceptors	6
TotalSurfaceArea	248.83
Relative PSA	0.2611
PolarSurfaceArea	84.48
Druglikeness	-3.6937
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	6
AcidicOxygens	1
StereoCon

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