N-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-ium-4-amine

Formula:C16H22N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-ium-4-amine is a drug-like molecule.

MolName	N-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-ium-4-amine
MolecularFormula	C16H22N3S
Smiles	C(CC1)CCC1Nc1c(c(CCCC2)c2s2)c2[nH+]cn1
InChI	InChI=1S/C16H21N3S/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h10-11H,1-9H2,(H,17,18,19)/p+1
InChIK	PVIRULZHKLRIFO-UHFFFAOYSA-O
TotalMolweight	288.438
Molweight	288.438
MonoisotopicMass	288.153442
CLogP	1.9471
CLogS	-5.939
H Acceptors	3
H Donors	2
TotalSurfaceArea	211.15
Relative PSA	0.20265
PolarSurfaceArea	67.3
Druglikeness	-3.5899
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	10
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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