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

Formula:C17H12N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is a drug-like molecule.

MolName	N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
MolecularFormula	C17H12N6O3S
Smiles	[O-][N+](c(cc1)ccc1NC(CSc1nnc(c(cccc2)c2[nH]2)c2n1)=O)=O
InChI	InChI=1S/C17H12N6O3S/c24-14(18-10-5-7-11(8-6-10)23(25)26)9-27-17-20-16-15(21-22-17)12-3-1-2-4-13(12)19-16/h1-8H,9H2,(H,18,24)(H,19,20,22)
InChIK	BTPPSFJWSOQMDY-UHFFFAOYSA-N
TotalMolweight	380.387
Molweight	380.387
MonoisotopicMass	380.069159
CLogP	1.71
CLogS	-5.21
H Acceptors	9
H Donors	2
TotalSurfaceArea	272.2
Relative PSA	0.43832
PolarSurfaceArea	154.68
Druglikeness	-3.7355
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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