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

Formula:C20H19NO2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(1-adamantyl)-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(1-adamantyl)-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C20H19NO2Cl2
Smiles	O=C1OC(C2(CC(C3)C4)CC4CC3C2)=N/C1=C/c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C20H19Cl2NO2/c21-15-2-1-11(6-16(15)22)7-17-18(24)25-19(23-17)20-8-12-3-13(9-20)5-14(4-12)10-20/h1-2,6-7,12-14H,3-5,8-10H2
InChIK	XHIKODCIXNNJSL-UHFFFAOYSA-N
TotalMolweight	376.282
Molweight	376.282
MonoisotopicMass	375.079283
CLogP	4.2824
CLogS	-6.376
H Acceptors	3
TotalSurfaceArea	256
Relative PSA	0.13496
PolarSurfaceArea	38.66
Druglikeness	1.3862
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	6
StereoCon

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