5-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole

Formula:C17H11N2OCl3 Mutagenic:none Tumorigenic:high Reproductive Effective:none 5-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is not a drug-like molecule.

MolName	5-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
MolecularFormula	C17H11N2OCl3
Smiles	Clc1cc(Cl)c(Cc2noc(/C=C/c(cccc3)c3Cl)n2)cc1
InChI	InChI=1S/C17H11Cl3N2O/c18-13-7-5-12(15(20)10-13)9-16-21-17(23-22-16)8-6-11-3-1-2-4-14(11)19/h1-8,10H,9H2
InChIK	UHZGGGMDBLEUJO-UHFFFAOYSA-N
TotalMolweight	365.646
Molweight	365.646
MonoisotopicMass	363.993694
CLogP	5.5661
CLogS	-5.713
H Acceptors	3
TotalSurfaceArea	266.51
Relative PSA	0.13527
PolarSurfaceArea	38.92
Druglikeness	1.4974
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Aromatic Nitrogens	2
StereoCon

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1 - 5-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole | 2 - 5-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole

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