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

Formula:C22H13N2OCl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
MolecularFormula	C22H13N2OCl2F
Smiles	Fc(cc1)ccc1-c1nc(cc(cc2)/N=C/C=C/c(ccc(Cl)c3)c3Cl)c2o1
InChI	InChI=1S/C22H13Cl2FN2O/c23-16-6-3-14(19(24)12-16)2-1-11-26-18-9-10-21-20(13-18)27-22(28-21)15-4-7-17(25)8-5-15/h1-13H
InChIK	IQTZLQKVMBBQOV-UHFFFAOYSA-N
TotalMolweight	411.262
Molweight	411.262
MonoisotopicMass	410.038895
CLogP	6.0193
CLogS	-8.226
H Acceptors	3
TotalSurfaceArea	304.28
Relative PSA	0.12025
PolarSurfaceArea	38.39
Druglikeness	-1.24
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
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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