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

Formula:C14H9N2O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-2-amino-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-2-amino-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C14H9N2O2BrS
Smiles	NC(S/C1=C/c2ccc(-c3cccc(Br)c3)o2)=NC1=O
InChI	InChI=1S/C14H9BrN2O2S/c15-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(18)17-14(16)20-12/h1-7H,(H2,16,17,18)
InChIK	ORZRKFPEXIWBBT-UHFFFAOYSA-N
TotalMolweight	349.207
Molweight	349.207
MonoisotopicMass	347.956809
CLogP	2.6621
CLogS	-5.583
H Acceptors	4
H Donors	1
TotalSurfaceArea	219.28
Relative PSA	0.3257
PolarSurfaceArea	93.89
Druglikeness	1.47
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
BasicNitrogens	1
StereoCon

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