(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

Formula:C22H14N2OClF Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine is not a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
MolecularFormula	C22H14N2OClF
Smiles	Fc(cc1)ccc1-c1nc(cc(cc2)/N=C/C=C/c(cccc3)c3Cl)c2o1
InChI	InChI=1S/C22H14ClFN2O/c23-19-6-2-1-4-15(19)5-3-13-25-18-11-12-21-20(14-18)26-22(27-21)16-7-9-17(24)10-8-16/h1-14H
InChIK	LDEUBDDTMSWEEM-UHFFFAOYSA-N
TotalMolweight	376.817
Molweight	376.817
MonoisotopicMass	376.077868
CLogP	5.4133
CLogS	-7.49
H Acceptors	3
TotalSurfaceArea	288.86
Relative PSA	0.12667
PolarSurfaceArea	38.39
Druglikeness	-1.24
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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