3-[5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3,4-oxadiazol-2-yl]aniline

Formula:C17H12N3O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3,4-oxadiazol-2-yl]aniline is a drug-like molecule.

MolName	3-[5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3,4-oxadiazol-2-yl]aniline
MolecularFormula	C17H12N3O2F3
Smiles	Nc1cccc(-c2nnc(/C=C/c(cc3)ccc3OC(F)(F)F)o2)c1
InChI	InChI=1S/C17H12F3N3O2/c18-17(19,20)25-14-7-4-11(5-8-14)6-9-15-22-23-16(24-15)12-2-1-3-13(21)10-12/h1-10H,21H2
InChIK	QTRPTSVEORZSAF-UHFFFAOYSA-N
TotalMolweight	347.295
Molweight	347.295
MonoisotopicMass	347.088161
CLogP	4.0029
CLogS	-5.864
H Acceptors	5
H Donors	1
TotalSurfaceArea	254.47
Relative PSA	0.24097
PolarSurfaceArea	74.17
Druglikeness	-7.705
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
StereoCon

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