(E)-3-[2-(2,4-dichlorophenoxy)phenyl]-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C28H17N3O3Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-3-[2-(2,4-dichlorophenoxy)phenyl]-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[2-(2,4-dichlorophenoxy)phenyl]-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C28H17N3O3Cl2S
Smiles	N#C/C(/c1nc(CCN(C(c2c3cccc2)=O)C3=O)cs1)=C\c(cccc1)c1Oc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C28H17Cl2N3O3S/c29-19-9-10-25(23(30)14-19)36-24-8-4-1-5-17(24)13-18(15-31)26-32-20(16-37-26)11-12-33-27(34)21-6-2-3-7-22(21)28(33)35/h1-10,13-14,16H,11-12H2
InChIK	JEJHKOOWVBOCRT-UHFFFAOYSA-N
TotalMolweight	546.433
Molweight	546.433
MonoisotopicMass	545.036766
CLogP	6.0065
CLogS	-7.896
H Acceptors	6
TotalSurfaceArea	394.32
Relative PSA	0.21434
PolarSurfaceArea	111.53
Druglikeness	1.2142
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[2-(2,4-dichlorophenoxy)phenyl]-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[2-(2,4-dichlorophenoxy)phenyl]-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]prop-2-enenitrile

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