(Z)-3-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-(3,4-dichlorophenyl)prop-2-enenitrile

Formula:C21H9N2O2Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-(3,4-dichlorophenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-3-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-(3,4-dichlorophenyl)prop-2-enenitrile
MolecularFormula	C21H9N2O2Cl3S
Smiles	N#C/C(/c(cc1)cc(Cl)c1Cl)=C\c1nc(C2=Cc(cc(cc3)Cl)c3OC2=O)cs1
InChI	InChI=1S/C21H9Cl3N2O2S/c22-14-2-4-19-12(5-14)6-15(21(27)28-19)18-10-29-20(26-18)8-13(9-25)11-1-3-16(23)17(24)7-11/h1-8,10H
InChIK	SYRCGAUFQYRVTK-UHFFFAOYSA-N
TotalMolweight	459.739
Molweight	459.739
MonoisotopicMass	457.945029
CLogP	5.1277
CLogS	-6.602
H Acceptors	4
TotalSurfaceArea	319.12
Relative PSA	0.21287
PolarSurfaceArea	91.22
Druglikeness	-1.214
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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