(2Z)-2-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C23H12N3O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.

MolName	(2Z)-2-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C23H12N3O4F3S
Smiles	[O-][N+](c(cc(C(F)(F)F)cc1)c1Oc1cccc(/C=C2\Sc3nc(cccc4)c4n3C2=O)c1)=O
InChI	InChI=1S/C23H12F3N3O4S/c24-23(25,26)14-8-9-19(18(12-14)29(31)32)33-15-5-3-4-13(10-15)11-20-21(30)28-17-7-2-1-6-16(17)27-22(28)34-20/h1-12H
InChIK	SSKUQQIKIOAYGD-UHFFFAOYSA-N
TotalMolweight	483.425
Molweight	483.425
MonoisotopicMass	483.050061
CLogP	4.8285
CLogS	-7.67
H Acceptors	7
TotalSurfaceArea	324.92
Relative PSA	0.27327
PolarSurfaceArea	115.24
Druglikeness	-8.9319
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - (2Z)-2-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

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