N-(3,5-dichlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide

Formula:C17H11N5OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3,5-dichlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is a drug-like molecule.

MolName	N-(3,5-dichlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
MolecularFormula	C17H11N5OCl2S
Smiles	O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)Nc1cc(Cl)cc(Cl)c1
InChI	InChI=1S/C17H11Cl2N5OS/c18-9-5-10(19)7-11(6-9)20-14(25)8-26-17-22-16-15(23-24-17)12-3-1-2-4-13(12)21-16/h1-7H,8H2,(H,20,25)(H,21,22,24)
InChIK	FLLSCMFAICMZNM-UHFFFAOYSA-N
TotalMolweight	404.28
Molweight	404.28
MonoisotopicMass	403.006134
CLogP	3.8436
CLogS	-6.222
H Acceptors	6
H Donors	2
TotalSurfaceArea	279.37
Relative PSA	0.31818
PolarSurfaceArea	108.86
Druglikeness	1.4611
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	4
StereoCon

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