2-[(4-chlorophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole

Formula:C17H13N2OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4-chlorophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is a drug-like molecule.

MolName	2-[(4-chlorophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
MolecularFormula	C17H13N2OClS
Smiles	Clc1ccc(CSc2nnc(/C=C/c3ccccc3)o2)cc1
InChI	InChI=1S/C17H13ClN2OS/c18-15-9-6-14(7-10-15)12-22-17-20-19-16(21-17)11-8-13-4-2-1-3-5-13/h1-11H,12H2
InChIK	QOCQVHCUURVWIN-UHFFFAOYSA-N
TotalMolweight	328.822
Molweight	328.822
MonoisotopicMass	328.04371
CLogP	4.7477
CLogS	-5.554
H Acceptors	3
TotalSurfaceArea	253.16
Relative PSA	0.21149
PolarSurfaceArea	64.22
Druglikeness	0.96147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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