1-(2-adamantyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Formula:C23H34N2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(2-adamantyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-(2-adamantyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C23H34N2
Smiles	C(/C=C/c1ccccc1)[NH+](CC1)CC[NH+]1C1C2CC(C3)CC1CC3C2
InChI	InChI=1S/C23H32N2/c1-2-5-18(6-3-1)7-4-8-24-9-11-25(12-10-24)23-21-14-19-13-20(16-21)17-22(23)15-19/h1-7,19-23H,8-17H2/p+2
InChIK	NBCVSZDGZJCINY-UHFFFAOYSA-P
TotalMolweight	338.537
Molweight	338.537
MonoisotopicMass	338.272198
CLogP	-0.0508
CLogS	-3.602
H Acceptors	2
H Donors	2
TotalSurfaceArea	294.54
Relative PSA	0.11944
PolarSurfaceArea	8.88
Druglikeness	-0.91284
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	4
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	17
Symmetricatoms	9
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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