3-[(2,4-dichlorophenoxy)methyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole

Formula:C17H12N2O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[(2,4-dichlorophenoxy)methyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is a drug-like molecule.

MolName	3-[(2,4-dichlorophenoxy)methyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
MolecularFormula	C17H12N2O2Cl2
Smiles	Clc(cc1)cc(Cl)c1OCc1noc(/C=C/c2ccccc2)n1
InChI	InChI=1S/C17H12Cl2N2O2/c18-13-7-8-15(14(19)10-13)22-11-16-20-17(23-21-16)9-6-12-4-2-1-3-5-12/h1-10H,11H2
InChIK	JWIOZWXJSKKNKT-UHFFFAOYSA-N
TotalMolweight	347.2
Molweight	347.2
MonoisotopicMass	346.027582
CLogP	4.4923
CLogS	-4.607
H Acceptors	4
TotalSurfaceArea	261.09
Relative PSA	0.17638
PolarSurfaceArea	48.15
Druglikeness	1.1457
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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