1-[(4aR,5Z,9R,9aR)-5-benzylidene-9-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-xanthen-4a-yl]piperidine

Formula:C31H37NO Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(4aR,5Z,9R,9aR)-5-benzylidene-9-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-xanthen-4a-yl]piperidine is not a drug-like molecule.

MolName	1-[(4aR,5Z,9R,9aR)-5-benzylidene-9-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-xanthen-4a-yl]piperidine
MolecularFormula	C31H37NO
Smiles	C(CC1)CCN1[C@@]1([C@@H]2CCCC1)OC(/C(/CCC1)=C\c3ccccc3)=C1[C@H]2c1ccccc1
InChI	InChI=1S/C31H37NO/c1-4-13-24(14-5-1)23-26-17-12-18-27-29(25-15-6-2-7-16-25)28-19-8-9-20-31(28,33-30(26)27)32-21-10-3-11-22-32/h1-2,4-7,13-16,23,28-29H,3,8-12,17-22H2/t28-,29-,31+/m0/s1
InChIK	XHZACPFETSQKJX-GSBZAIBZSA-N
TotalMolweight	439.641
Molweight	439.641
MonoisotopicMass	439.287514
CLogP	7.5393
CLogS	-6.551
H Acceptors	2
TotalSurfaceArea	347.48
Relative PSA	0.038995
PolarSurfaceArea	12.47
Druglikeness	-0.66244
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.39394
Fragments	1
Non HAtoms	33
NonCHAtoms	2
Electronegative Atoms	2
StereoCenters	3
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	17
Symmetricatoms	6
BasicNitrogens	1
StereoCon	this enantiomer

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1 - 1-[(4aR,5Z,9R,9aR)-5-benzylidene-9-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-xanthen-4a-yl]piperidine | 2 - 1-[(4aR,5Z,9R,9aR)-5-benzylidene-9-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-xanthen-4a-yl]piperidine

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