4-(1-bromo-6,7,8,9-tetrahydro-[1,2]thiazolo[5,4-c]isoquinolin-4-ium-5-yl)morpholine

Formula:C14H17N3OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(1-bromo-6,7,8,9-tetrahydro-[1,2]thiazolo[5,4-c]isoquinolin-4-ium-5-yl)morpholine is a drug-like molecule.

MolName	4-(1-bromo-6,7,8,9-tetrahydro-[1,2]thiazolo[5,4-c]isoquinolin-4-ium-5-yl)morpholine
MolecularFormula	C14H17N3OBrS
Smiles	Brc1nsc2[nH+]c(N3CCOCC3)c(CCCC3)c3c12
InChI	InChI=1S/C14H16BrN3OS/c15-12-11-9-3-1-2-4-10(9)13(16-14(11)20-17-12)18-5-7-19-8-6-18/h1-8H2/p+1
InChIK	RBUKDJRIHOZYMG-UHFFFAOYSA-O
TotalMolweight	355.279
Molweight	355.279
MonoisotopicMass	354.027568
CLogP	1.2074
CLogS	-3.444
H Acceptors	4
H Donors	1
TotalSurfaceArea	212.36
Relative PSA	0.21134
PolarSurfaceArea	67.74
Druglikeness	-7.8553
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	10
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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