(E)-3-(4-iodophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C18H10N3O2IS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-iodophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-iodophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H10N3O2IS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C\c(cc1)ccc1I
InChI	InChI=1S/C18H10IN3O2S/c19-15-5-1-12(2-6-15)9-14(10-20)18-21-17(11-25-18)13-3-7-16(8-4-13)22(23)24/h1-9,11H
InChIK	ZHNHWLNCCUAGIG-UHFFFAOYSA-N
TotalMolweight	459.262
Molweight	459.262
MonoisotopicMass	458.953845
CLogP	3.4284
CLogS	-5.913
H Acceptors	5
TotalSurfaceArea	283.85
Relative PSA	0.26532
PolarSurfaceArea	110.74
Druglikeness	-6.279
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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