2-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide

Formula:C12H8N5OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide is a drug-like molecule.

MolName	2-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide
MolecularFormula	C12H8N5OF3S
Smiles	NC(CSc1nnc(c(c(C(F)(F)F)ccc2)c2[nH]2)c2n1)=O
InChI	InChI=1S/C12H8F3N5OS/c13-12(14,15)5-2-1-3-6-8(5)9-10(17-6)18-11(20-19-9)22-4-7(16)21/h1-3H,4H2,(H2,16,21)(H,17,18,20)
InChIK	XJMPPZRZTYTXLZ-UHFFFAOYSA-N
TotalMolweight	327.29
Molweight	327.29
MonoisotopicMass	327.040164
CLogP	1.4197
CLogS	-4.105
H Acceptors	6
H Donors	2
TotalSurfaceArea	215.29
Relative PSA	0.43058
PolarSurfaceArea	122.85
Druglikeness	-6.4786
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	13
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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