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

Formula:C22H14N2OBrI Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromophenyl)-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine is not a drug-like molecule.

MolName	(E)-3-(3-bromophenyl)-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
MolecularFormula	C22H14N2OBrI
Smiles	Brc1cccc(/C=C/C=N/c(cc2)cc3c2oc(-c(cc2)ccc2I)n3)c1
InChI	InChI=1S/C22H14BrIN2O/c23-17-5-1-3-15(13-17)4-2-12-25-19-10-11-21-20(14-19)26-22(27-21)16-6-8-18(24)9-7-16/h1-14H
InChIK	XEOUHPAQPTXTND-UHFFFAOYSA-N
TotalMolweight	529.17
Molweight	529.17
MonoisotopicMass	527.933422
CLogP	5.8688
CLogS	-8.29
H Acceptors	3
TotalSurfaceArea	312
Relative PSA	0.11728
PolarSurfaceArea	38.39
Druglikeness	-1.1029
Mutagenic	none
Tumorigenic	none
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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