2-(2-chlorophenyl)-5-[(E)-2-naphthalen-1-ylethenyl]-1,3,4-oxadiazole

Formula:C20H13N2OCl Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-(2-chlorophenyl)-5-[(E)-2-naphthalen-1-ylethenyl]-1,3,4-oxadiazole is not a drug-like molecule.

MolName	2-(2-chlorophenyl)-5-[(E)-2-naphthalen-1-ylethenyl]-1,3,4-oxadiazole
MolecularFormula	C20H13N2OCl
Smiles	Clc(cccc1)c1-c1nnc(/C=C/c2cccc3ccccc23)o1
InChI	InChI=1S/C20H13ClN2O/c21-18-11-4-3-10-17(18)20-23-22-19(24-20)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H
InChIK	FSBYRHBUHBTAOQ-UHFFFAOYSA-N
TotalMolweight	332.789
Molweight	332.789
MonoisotopicMass	332.07164
CLogP	5.3816
CLogS	-7.107
H Acceptors	3
TotalSurfaceArea	256.51
Relative PSA	0.14054
PolarSurfaceArea	38.92
Druglikeness	0.39
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Aromatic Nitrogens	2
StereoCon

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