5-[(E)-2-anilinoethenyl]-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile

Formula:C18H11N3OClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-anilinoethenyl]-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile is a drug-like molecule.

MolName	5-[(E)-2-anilinoethenyl]-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile
MolecularFormula	C18H11N3OClF
Smiles	N#Cc1c(/C=C/Nc2ccccc2)onc1-c(c(F)ccc1)c1Cl
InChI	InChI=1S/C18H11ClFN3O/c19-14-7-4-8-15(20)17(14)18-13(11-21)16(24-23-18)9-10-22-12-5-2-1-3-6-12/h1-10,22H
InChIK	SEEFJMOATWQBRQ-UHFFFAOYSA-N
TotalMolweight	339.756
Molweight	339.756
MonoisotopicMass	339.057467
CLogP	3.7942
CLogS	-6.42
H Acceptors	4
H Donors	1
TotalSurfaceArea	262.67
Relative PSA	0.19073
PolarSurfaceArea	61.85
Druglikeness	-4.0909
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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