(5E)-2-amino-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one

Formula:C10H7N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-2-amino-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-2-amino-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one
MolecularFormula	C10H7N3O4S
Smiles	NC(S/C1=C/c(cccc2[N+]([O-])=O)c2O)=NC1=O
InChI	InChI=1S/C10H7N3O4S/c11-10-12-9(15)7(18-10)4-5-2-1-3-6(8(5)14)13(16)17/h1-4,14H,(H2,11,12,15)
InChIK	BGQSPOWRXISVCB-UHFFFAOYSA-N
TotalMolweight	265.249
Molweight	265.249
MonoisotopicMass	265.015727
CLogP	-0.3283
CLogS	-3.453
H Acceptors	7
H Donors	2
TotalSurfaceArea	181.22
Relative PSA	0.5564
PolarSurfaceArea	146.8
Druglikeness	-2.8304
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (5E)-2-amino-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one | 2 - (5E)-2-amino-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one

Request More Details | (5E)-2-amino-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments