1-(4-chlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone

Formula:C17H11N4OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-chlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone is a drug-like molecule.

MolName	1-(4-chlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
MolecularFormula	C17H11N4OClS
Smiles	O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)c(cc1)ccc1Cl
InChI	InChI=1S/C17H11ClN4OS/c18-11-7-5-10(6-8-11)14(23)9-24-17-20-16-15(21-22-17)12-3-1-2-4-13(12)19-16/h1-8H,9H2,(H,19,20,22)
InChIK	BVEWEOSQBYKBKC-UHFFFAOYSA-N
TotalMolweight	354.82
Molweight	354.82
MonoisotopicMass	354.034208
CLogP	3.4051
CLogS	-5.828
H Acceptors	5
H Donors	1
TotalSurfaceArea	252.49
Relative PSA	0.30667
PolarSurfaceArea	96.83
Druglikeness	0.655
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 - 1-(4-chlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone | 2 - 1-(4-chlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone

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