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

Formula:C24H15N2IS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-iodophenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(4-iodophenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C24H15N2IS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c(cc1)ccc1I
InChI	InChI=1S/C24H15IN2S/c25-22-12-6-17(7-13-22)14-21(15-26)24-27-23(16-28-24)20-10-8-19(9-11-20)18-4-2-1-3-5-18/h1-14,16H
InChIK	FOGBBRLTRXCIEM-UHFFFAOYSA-N
TotalMolweight	490.363
Molweight	490.363
MonoisotopicMass	490.000066
CLogP	6.0092
CLogS	-7.539
H Acceptors	2
TotalSurfaceArea	319.94
Relative PSA	0.14031
PolarSurfaceArea	64.92
Druglikeness	-1.1363
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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