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

Formula:C19H19N3OF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(azepan-1-ylmethyl)-3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,2,4-oxadiazole is a drug-like molecule.

MolName	5-(azepan-1-ylmethyl)-3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,2,4-oxadiazole
MolecularFormula	C19H19N3OF6
Smiles	FC(c1cc(C(F)(F)F)cc(/C=C/c2noc(CN3CCCCCC3)n2)c1)(F)F
InChI	InChI=1S/C19H19F6N3O/c20-18(21,22)14-9-13(10-15(11-14)19(23,24)25)5-6-16-26-17(29-27-16)12-28-7-3-1-2-4-8-28/h5-6,9-11H,1-4,7-8,12H2
InChIK	RVLPZGKUPKKKHQ-UHFFFAOYSA-N
TotalMolweight	419.368
Molweight	419.368
MonoisotopicMass	419.14323
CLogP	4.7267
CLogS	-4.09
H Acceptors	4
TotalSurfaceArea	298.77
Relative PSA	0.13254
PolarSurfaceArea	42.16
Druglikeness	-7.8315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	11
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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