2-[(E)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]ethenyl]-4,6-diiodophenol

Formula:C21H12NO2ClI2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]ethenyl]-4,6-diiodophenol is not a drug-like molecule.

MolName	2-[(E)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]ethenyl]-4,6-diiodophenol
MolecularFormula	C21H12NO2ClI2
Smiles	Oc(c(/C=C/c(cc1)cc2c1oc(-c(cc1)ccc1Cl)n2)cc(I)c1)c1I
InChI	InChI=1S/C21H12ClI2NO2/c22-15-6-4-13(5-7-15)21-25-18-9-12(2-8-19(18)27-21)1-3-14-10-16(23)11-17(24)20(14)26/h1-11,26H
InChIK	LHKKTNXSQDHXOV-UHFFFAOYSA-N
TotalMolweight	599.584
Molweight	599.584
MonoisotopicMass	598.864602
CLogP	6.6559
CLogS	-9.214
H Acceptors	3
H Donors	1
TotalSurfaceArea	316.66
Relative PSA	0.12057
PolarSurfaceArea	46.26
Druglikeness	0.29377
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - 2-[(E)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]ethenyl]-4,6-diiodophenol | 2 - 2-[(E)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]ethenyl]-4,6-diiodophenol

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