3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole

Formula:C17H15N3OF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole is a drug-like molecule.

MolName	3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
MolecularFormula	C17H15N3OF6
Smiles	FC(c1cc(C(F)(F)F)cc(/C=C/c2noc(CN3CCCC3)n2)c1)(F)F
InChI	InChI=1S/C17H15F6N3O/c18-16(19,20)12-7-11(8-13(9-12)17(21,22)23)3-4-14-24-15(27-25-14)10-26-5-1-2-6-26/h3-4,7-9H,1-2,5-6,10H2
InChIK	RMVGFADCNWCYGC-UHFFFAOYSA-N
TotalMolweight	391.314
Molweight	391.314
MonoisotopicMass	391.11193
CLogP	4.0427
CLogS	-3.55
H Acceptors	4
TotalSurfaceArea	271.25
Relative PSA	0.14599
PolarSurfaceArea	42.16
Druglikeness	-3.4754
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	10
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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