N-(4-chloro-3-nitrophenyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

Formula:C17H10N6O3ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-chloro-3-nitrophenyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is a drug-like molecule.

MolName	N-(4-chloro-3-nitrophenyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
MolecularFormula	C17H10N6O3ClFS
Smiles	[O-][N+](c(cc(cc1)NC(CSc2nnc(c(cc(cc3)F)c3[nH]3)c3n2)=O)c1Cl)=O
InChI	InChI=1S/C17H10ClFN6O3S/c18-11-3-2-9(6-13(11)25(27)28)20-14(26)7-29-17-22-16-15(23-24-17)10-5-8(19)1-4-12(10)21-16/h1-6H,7H2,(H,20,26)(H,21,22,24)
InChIK	MOEROXZXTYNKAM-UHFFFAOYSA-N
TotalMolweight	432.822
Molweight	432.822
MonoisotopicMass	432.020764
CLogP	2.4168
CLogS	-6.26
H Acceptors	9
H Donors	2
TotalSurfaceArea	293.97
Relative PSA	0.40586
PolarSurfaceArea	154.68
Druglikeness	-4.9973
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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