(2E)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C16H8N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.

MolName	(2E)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C16H8N4O6S
Smiles	[O-][N+](c(cc1[N+]([O-])=O)cc(/C=C2/Sc3nc(cccc4)c4n3C2=O)c1O)=O
InChI	InChI=1S/C16H8N4O6S/c21-14-8(5-9(19(23)24)7-12(14)20(25)26)6-13-15(22)18-11-4-2-1-3-10(11)17-16(18)27-13/h1-7,21H
InChIK	AUGLTWDBBOMCGG-UHFFFAOYSA-N
TotalMolweight	384.328
Molweight	384.328
MonoisotopicMass	384.016456
CLogP	1.3173
CLogS	-4.759
H Acceptors	10
H Donors	1
TotalSurfaceArea	255.72
Relative PSA	0.4783
PolarSurfaceArea	172.06
Druglikeness	-1.7077
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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