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

Formula:C25H15N3OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-benzoyl-4-chloroanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2-benzoyl-4-chloroanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C25H15N3OCl2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\Nc(ccc(Cl)c1)c1C(c1ccccc1)=O
InChI	InChI=1S/C25H15Cl2N3OS/c26-19-8-6-16(7-9-19)23-15-32-25(30-23)18(13-28)14-29-22-11-10-20(27)12-21(22)24(31)17-4-2-1-3-5-17/h1-12,14-15,29H
InChIK	WAAWEWINERNGRO-UHFFFAOYSA-N
TotalMolweight	476.386
Molweight	476.386
MonoisotopicMass	475.031286
CLogP	5.4256
CLogS	-7.955
H Acceptors	4
H Donors	1
TotalSurfaceArea	353.71
Relative PSA	0.19618
PolarSurfaceArea	94.02
Druglikeness	-1.4406
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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