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

Formula:C16H10N4Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 8-bromo-3-[(4-bromophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is a drug-like molecule.

MolName	8-bromo-3-[(4-bromophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
MolecularFormula	C16H10N4Br2S
Smiles	Brc1ccc(CSc2nnc(c(cc(cc3)Br)c3[nH]3)c3n2)cc1
InChI	InChI=1S/C16H10Br2N4S/c17-10-3-1-9(2-4-10)8-23-16-20-15-14(21-22-16)12-7-11(18)5-6-13(12)19-15/h1-7H,8H2,(H,19,20,22)
InChIK	LHTMARKBLOSEOU-UHFFFAOYSA-N
TotalMolweight	450.157
Molweight	450.157
MonoisotopicMass	447.899288
CLogP	4.6831
CLogS	-6.793
H Acceptors	4
H Donors	1
TotalSurfaceArea	256.58
Relative PSA	0.25095
PolarSurfaceArea	79.76
Druglikeness	-1.9375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
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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1 - 8-bromo-3-[(4-bromophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole | 2 - 8-bromo-3-[(4-bromophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole

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