5-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-1-ium

Formula:C17H18N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-1-ium is a drug-like molecule.

MolName	5-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-1-ium
MolecularFormula	C17H18N3S
Smiles	C(CC1)CCN1c1c(c(-c2ccccc2)cs2)c2[nH+]cn1
InChI	InChI=1S/C17H17N3S/c1-3-7-13(8-4-1)14-11-21-17-15(14)16(18-12-19-17)20-9-5-2-6-10-20/h1,3-4,7-8,11-12H,2,5-6,9-10H2/p+1
InChIK	PHKWVGCXERQXLE-UHFFFAOYSA-O
TotalMolweight	296.417
Molweight	296.417
MonoisotopicMass	296.122142
CLogP	1.9976
CLogS	-6.181
H Acceptors	3
H Donors	1
TotalSurfaceArea	215.71
Relative PSA	0.1617
PolarSurfaceArea	58.51
Druglikeness	0.99359
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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