(2Z,4E)-5-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]penta-2,4-dienenitrile

Formula:C26H18N2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z,4E)-5-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]penta-2,4-dienenitrile is not a drug-like molecule.

MolName	(2Z,4E)-5-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]penta-2,4-dienenitrile
MolecularFormula	C26H18N2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C/C=C/c1ccccc1
InChI	InChI=1S/C26H18N2S/c27-18-24(13-7-10-20-8-3-1-4-9-20)26-28-25(19-29-26)23-16-14-22(15-17-23)21-11-5-2-6-12-21/h1-17,19H
InChIK	RVCIGHSIYYNVHY-UHFFFAOYSA-N
TotalMolweight	390.509
Molweight	390.509
MonoisotopicMass	390.119068
CLogP	6.2287
CLogS	-6.835
H Acceptors	2
TotalSurfaceArea	320.16
Relative PSA	0.14021
PolarSurfaceArea	64.92
Druglikeness	-1.4795
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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