(E)-3-(2-chlorophenyl)-N-[2-(2-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-(2-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine is not a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
MolecularFormula	C22H14N2OClF
Smiles	Fc(cccc1)c1-c1nc(cc(cc2)/N=C/C=C/c(cccc3)c3Cl)c2o1
InChI	InChI=1S/C22H14ClFN2O/c23-18-9-3-1-6-15(18)7-5-13-25-16-11-12-21-20(14-16)26-22(27-21)17-8-2-4-10-19(17)24/h1-14H
InChIK	LNXZEXRGIQXLDU-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	0.62963
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
Aromatic Nitrogens	1
StereoCon

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