(2Z)-2-cyano-2-[4-[5-(2,5-dichlorophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]acetamide

Formula:C22H13N3O2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high (2Z)-2-cyano-2-[4-[5-(2,5-dichlorophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]acetamide is not a drug-like molecule.

MolName	(2Z)-2-cyano-2-[4-[5-(2,5-dichlorophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]acetamide
MolecularFormula	C22H13N3O2Cl2S
Smiles	NC(/C(/C#N)=C1\SC=C(c2ccc(-c(cc(cc3)Cl)c3Cl)o2)N1c1ccccc1)=O
InChI	InChI=1S/C22H13Cl2N3O2S/c23-13-6-7-17(24)15(10-13)19-8-9-20(29-19)18-12-30-22(16(11-25)21(26)28)27(18)14-4-2-1-3-5-14/h1-10,12H,(H2,26,28)
InChIK	UMLIXAXAUYLYKY-UHFFFAOYSA-N
TotalMolweight	454.336
Molweight	454.336
MonoisotopicMass	453.010551
CLogP	5.3284
CLogS	-7.494
H Acceptors	5
H Donors	1
TotalSurfaceArea	323.21
Relative PSA	0.2383
PolarSurfaceArea	108.56
Druglikeness	-0.31807
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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