1-(2-bicyclo[2.2.1]heptanyl)-4-[(E)-3-phenylprop-2-enyl]piperazine

Formula:C20H28N2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(2-bicyclo[2.2.1]heptanyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is a drug-like molecule.

MolName	1-(2-bicyclo[2.2.1]heptanyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
MolecularFormula	C20H28N2
Smiles	C(/C=C/c1ccccc1)N(CC1)CCN1C1C(CC2)CC2C1
InChI	InChI=1S/C20H28N2/c1-2-5-17(6-3-1)7-4-10-21-11-13-22(14-12-21)20-16-18-8-9-19(20)15-18/h1-7,18-20H,8-16H2
InChIK	SJPXMCIXWRAKOX-UHFFFAOYSA-N
TotalMolweight	296.456
Molweight	296.456
MonoisotopicMass	296.225248
CLogP	3.5812
CLogS	-2.926
H Acceptors	2
TotalSurfaceArea	241.2
Relative PSA	0.029436
PolarSurfaceArea	6.48
Druglikeness	5.7508
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	2
Electronegative Atoms	2
StereoCenters	3
Rotatable Bond	4
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon	unknown chirality

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