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

Formula:C17H11N4OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone is a drug-like molecule.

MolName	2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone
MolecularFormula	C17H11N4OFS
Smiles	O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)c1ccccc1
InChI	InChI=1S/C17H11FN4OS/c18-11-6-7-13-12(8-11)15-16(19-13)20-17(22-21-15)24-9-14(23)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20,22)
InChIK	ZFIMECMDGFKNFE-UHFFFAOYSA-N
TotalMolweight	338.365
Molweight	338.365
MonoisotopicMass	338.063759
CLogP	2.8999
CLogS	-5.406
H Acceptors	5
H Donors	1
TotalSurfaceArea	243.42
Relative PSA	0.31809
PolarSurfaceArea	96.83
Druglikeness	-0.76203
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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

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