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

Formula:C24H15N2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-chlorophenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(3-chlorophenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C24H15N2ClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c1cccc(Cl)c1
InChI	InChI=1S/C24H15ClN2S/c25-22-8-4-5-17(14-22)13-21(15-26)24-27-23(16-28-24)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-14,16H
InChIK	MKCKPMKSVSGPIS-UHFFFAOYSA-N
TotalMolweight	398.916
Molweight	398.916
MonoisotopicMass	398.064445
CLogP	6.1781
CLogS	-7.259
H Acceptors	2
TotalSurfaceArea	309.08
Relative PSA	0.14524
PolarSurfaceArea	64.92
Druglikeness	-1.6018
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
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	4
Aromatic Nitrogens	1
StereoCon

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