(5E)-2-amino-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

Formula:C14H8N2O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-2-amino-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-2-amino-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C14H8N2O2Cl2S
Smiles	NC(S/C1=C/c2ccc(-c(cc3)cc(Cl)c3Cl)o2)=NC1=O
InChI	InChI=1S/C14H8Cl2N2O2S/c15-9-3-1-7(5-10(9)16)11-4-2-8(20-11)6-12-13(19)18-14(17)21-12/h1-6H,(H2,17,18,19)
InChIK	DAGAGBZRNRKMGJ-UHFFFAOYSA-N
TotalMolweight	339.202
Molweight	339.202
MonoisotopicMass	337.968352
CLogP	3.1489
CLogS	-6.221
H Acceptors	4
H Donors	1
TotalSurfaceArea	231.49
Relative PSA	0.30852
PolarSurfaceArea	93.89
Druglikeness	3.3226
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
BasicNitrogens	1
StereoCon

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