(5Z)-2-amino-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

Formula:C14H8N3O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-2-amino-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-2-amino-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C14H8N3O4ClS
Smiles	NC(S/C1=C\c2ccc(-c(ccc([N+]([O-])=O)c3)c3Cl)o2)=NC1=O
InChI	InChI=1S/C14H8ClN3O4S/c15-10-5-7(18(20)21)1-3-9(10)11-4-2-8(22-11)6-12-13(19)17-14(16)23-12/h1-6H,(H2,16,17,19)
InChIK	UXBYECZJGLSKMF-UHFFFAOYSA-N
TotalMolweight	349.754
Molweight	349.754
MonoisotopicMass	348.992404
CLogP	1.5623
CLogS	-5.945
H Acceptors	7
H Donors	1
TotalSurfaceArea	239.74
Relative PSA	0.42479
PolarSurfaceArea	139.71
Druglikeness	-1.7046
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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