5-[(E)-2-(3,5-dichloroanilino)ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbonitrile

Formula:C18H9N3OCl4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-(3,5-dichloroanilino)ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbonitrile is not a drug-like molecule.

MolName	5-[(E)-2-(3,5-dichloroanilino)ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbonitrile
MolecularFormula	C18H9N3OCl4
Smiles	N#Cc1c(/C=C/Nc2cc(Cl)cc(Cl)c2)onc1-c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C18H9Cl4N3O/c19-10-6-11(20)8-12(7-10)24-5-4-16-13(9-23)18(25-26-16)17-14(21)2-1-3-15(17)22/h1-8,24H
InChIK	ACOZVZSUNBNUCP-UHFFFAOYSA-N
TotalMolweight	425.101
Molweight	425.101
MonoisotopicMass	422.94997
CLogP	5.5114
CLogS	-8.314
H Acceptors	4
H Donors	1
TotalSurfaceArea	302.58
Relative PSA	0.16558
PolarSurfaceArea	61.85
Druglikeness	-2.7509
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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1 - 5-[(E)-2-(3,5-dichloroanilino)ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbonitrile | 2 - 5-[(E)-2-(3,5-dichloroanilino)ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbonitrile

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