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

Formula:C16H10N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-2-amino-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-2-amino-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C16H10N4O6S
Smiles	NC(S/C1=C/c2cc(Oc(ccc([N+]([O-])=O)c3)c3[N+]([O-])=O)ccc2)=NC1=O
InChI	InChI=1S/C16H10N4O6S/c17-16-18-15(21)14(27-16)7-9-2-1-3-11(6-9)26-13-5-4-10(19(22)23)8-12(13)20(24)25/h1-8H,(H2,17,18,21)
InChIK	KJWKWPFJCKGAOM-UHFFFAOYSA-N
TotalMolweight	386.343
Molweight	386.343
MonoisotopicMass	386.032106
CLogP	0.4914
CLogS	-6.506
H Acceptors	10
H Donors	1
TotalSurfaceArea	268.3
Relative PSA	0.47764
PolarSurfaceArea	181.62
Druglikeness	-2.8562
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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