(2E)-2-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C19H10N2O2I2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.

MolName	(2E)-2-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C19H10N2O2I2S
Smiles	C#CCOc(c(/C=C1/Sc2nc(cccc3)c3n2C1=O)cc(I)c1)c1I
InChI	InChI=1S/C19H10I2N2O2S/c1-2-7-25-17-11(8-12(20)10-13(17)21)9-16-18(24)23-15-6-4-3-5-14(15)22-19(23)26-16/h1,3-6,8-10H,7H2
InChIK	JKDISJYNVKNUMW-UHFFFAOYSA-N
TotalMolweight	584.166
Molweight	584.166
MonoisotopicMass	583.855244
CLogP	4.3376
CLogS	-6.809
H Acceptors	4
TotalSurfaceArea	302.16
Relative PSA	0.19318
PolarSurfaceArea	69.42
Druglikeness	3.6604
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	2
StereoCon

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1 - (2E)-2-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2E)-2-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

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