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

Formula:C17H12N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-chlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is a drug-like molecule.

MolName	N-(3-chlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
MolecularFormula	C17H12N5OClS
Smiles	O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)Nc1cccc(Cl)c1
InChI	InChI=1S/C17H12ClN5OS/c18-10-4-3-5-11(8-10)19-14(24)9-25-17-21-16-15(22-23-17)12-6-1-2-7-13(12)20-16/h1-8H,9H2,(H,19,24)(H,20,21,23)
InChIK	UIMGAWJLTFRJGF-UHFFFAOYSA-N
TotalMolweight	369.835
Molweight	369.835
MonoisotopicMass	369.045107
CLogP	3.2376
CLogS	-5.486
H Acceptors	6
H Donors	2
TotalSurfaceArea	263.95
Relative PSA	0.33677
PolarSurfaceArea	108.86
Druglikeness	1.4611
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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