3-[(4-bromophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole

Formula:C16H11N4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(4-bromophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is a drug-like molecule.

MolName	3-[(4-bromophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
MolecularFormula	C16H11N4BrS
Smiles	Brc1ccc(CSc2nnc(c(cccc3)c3[nH]3)c3n2)cc1
InChI	InChI=1S/C16H11BrN4S/c17-11-7-5-10(6-8-11)9-22-16-19-15-14(20-21-16)12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,18,19,21)
InChIK	YYNQORMEBIHFOK-UHFFFAOYSA-N
TotalMolweight	371.261
Molweight	371.261
MonoisotopicMass	369.988777
CLogP	3.9579
CLogS	-5.959
H Acceptors	4
H Donors	1
TotalSurfaceArea	237.95
Relative PSA	0.2706
PolarSurfaceArea	79.76
Druglikeness	-1.9375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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