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

Formula:C25H14N3OCl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-benzoyl-4-chloroanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2-benzoyl-4-chloroanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C25H14N3OCl3S
Smiles	N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\Nc(ccc(Cl)c1)c1C(c1ccccc1)=O
InChI	InChI=1S/C25H14Cl3N3OS/c26-18-7-9-22(19(11-18)24(32)15-4-2-1-3-5-15)30-13-17(12-29)25-31-23(14-33-25)16-6-8-20(27)21(28)10-16/h1-11,13-14,30H
InChIK	ZBZUWBZXDRJKPF-UHFFFAOYSA-N
TotalMolweight	510.831
Molweight	510.831
MonoisotopicMass	508.992313
CLogP	6.0316
CLogS	-8.691
H Acceptors	4
H Donors	1
TotalSurfaceArea	369.13
Relative PSA	0.18798
PolarSurfaceArea	94.02
Druglikeness	-1.4406
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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