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

Formula:C17H11N6O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide is a drug-like molecule.

MolName	2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
MolecularFormula	C17H11N6O3FS
Smiles	[O-][N+](c(cccc1)c1NC(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)=O)=O
InChI	InChI=1S/C17H11FN6O3S/c18-9-5-6-11-10(7-9)15-16(20-11)21-17(23-22-15)28-8-14(25)19-12-3-1-2-4-13(12)24(26)27/h1-7H,8H2,(H,19,25)(H,20,21,23)
InChIK	RMUFXXJGFVPOJU-UHFFFAOYSA-N
TotalMolweight	398.377
Molweight	398.377
MonoisotopicMass	398.059737
CLogP	1.8108
CLogS	-5.524
H Acceptors	9
H Donors	2
TotalSurfaceArea	278.55
Relative PSA	0.42833
PolarSurfaceArea	154.68
Druglikeness	-5.0755
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
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-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide | 2 - 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide

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