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

Formula:C20H20NO2Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none (4E)-2-(1-adamantyl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(1-adamantyl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C20H20NO2Cl
Smiles	O=C1OC(C2(CC(C3)C4)CC4CC3C2)=N/C1=C/c(cccc1)c1Cl
InChI	InChI=1S/C20H20ClNO2/c21-16-4-2-1-3-15(16)8-17-18(23)24-19(22-17)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11H2
InChIK	DJXMVDRQNLKEAF-UHFFFAOYSA-N
TotalMolweight	341.837
Molweight	341.837
MonoisotopicMass	341.118256
CLogP	3.6764
CLogS	-5.64
H Acceptors	3
TotalSurfaceArea	240.58
Relative PSA	0.14361
PolarSurfaceArea	38.66
Druglikeness	1.3862
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	6
StereoCon

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