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

Formula:C22H14N3O3I Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-imine is a drug-like molecule.

MolName	(E)-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-imine
MolecularFormula	C22H14N3O3I
Smiles	[O-][N+](c1cccc(/C=C/C=N/c(cc2)cc3c2oc(-c(cc2)ccc2I)n3)c1)=O
InChI	InChI=1S/C22H14IN3O3/c23-17-8-6-16(7-9-17)22-25-20-14-18(10-11-21(20)29-22)24-12-2-4-15-3-1-5-19(13-15)26(27)28/h1-14H
InChIK	QGBCMXDUPAJUOH-UHFFFAOYSA-N
TotalMolweight	495.271
Molweight	495.271
MonoisotopicMass	495.00799
CLogP	4.222
CLogS	-7.916
H Acceptors	6
TotalSurfaceArea	317.04
Relative PSA	0.21136
PolarSurfaceArea	84.21
Druglikeness	-4.4256
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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