2-[(6,8-dibromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide

Formula:C17H10N6O3Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(6,8-dibromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide is not a drug-like molecule.

MolName	2-[(6,8-dibromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
MolecularFormula	C17H10N6O3Br2S
Smiles	[O-][N+](c1cccc(NC(CSc2nc([nH]c(c3cc(Br)c4)c4Br)c3nn2)=O)c1)=O
InChI	InChI=1S/C17H10Br2N6O3S/c18-8-4-11-14(12(19)5-8)21-16-15(11)23-24-17(22-16)29-7-13(26)20-9-2-1-3-10(6-9)25(27)28/h1-6H,7H2,(H,20,26)(H,21,22,24)
InChIK	COFRUMMKKLAXFN-UHFFFAOYSA-N
TotalMolweight	538.179
Molweight	538.179
MonoisotopicMass	535.890181
CLogP	3.1604
CLogS	-6.878
H Acceptors	9
H Donors	2
TotalSurfaceArea	309.46
Relative PSA	0.38554
PolarSurfaceArea	154.68
Druglikeness	-5.5255
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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1 - 2-[(6,8-dibromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide | 2 - 2-[(6,8-dibromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide

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