2-[(E)-2-phenylethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole

Formula:C14H17NO Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-phenylethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole is a drug-like molecule.

MolName	2-[(E)-2-phenylethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole
MolecularFormula	C14H17NO
Smiles	C(CC1C2)CN1OC2/C=C/c1ccccc1
InChI	InChI=1S/C14H17NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15(13)16-14/h1-3,5-6,8-9,13-14H,4,7,10-11H2
InChIK	POSFKVVXEVYCJA-UHFFFAOYSA-N
TotalMolweight	215.295
Molweight	215.295
MonoisotopicMass	215.131014
CLogP	2.3778
CLogS	-3.049
H Acceptors	2
TotalSurfaceArea	173.1
Relative PSA	0.078278
PolarSurfaceArea	12.47
Druglikeness	1.5405
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	2
Electronegative Atoms	2
StereoCenters	2
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
StereoCon	unknown chirality

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1 - 2-[(E)-2-phenylethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole | 2 - 2-[(E)-2-phenylethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole

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