1-[(4E)-4-benzylidene-9-phenyl-2,3,5,6,7,8,9,9a-octahydro-1H-xanthen-4a-yl]pyrrolidine

Formula:C30H35NO Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(4E)-4-benzylidene-9-phenyl-2,3,5,6,7,8,9,9a-octahydro-1H-xanthen-4a-yl]pyrrolidine is not a drug-like molecule.

MolName	1-[(4E)-4-benzylidene-9-phenyl-2,3,5,6,7,8,9,9a-octahydro-1H-xanthen-4a-yl]pyrrolidine
MolecularFormula	C30H35NO
Smiles	C(CC1)CN1C(C1CCC2)(/C2=C/c2ccccc2)OC(CCCC2)=C2C1c1ccccc1
InChI	InChI=1S/C30H35NO/c1-3-12-23(13-4-1)22-25-16-11-18-27-29(24-14-5-2-6-15-24)26-17-7-8-19-28(26)32-30(25,27)31-20-9-10-21-31/h1-6,12-15,22,27,29H,7-11,16-21H2
InChIK	IJXXRBRQXUPTCZ-UHFFFAOYSA-N
TotalMolweight	425.614
Molweight	425.614
MonoisotopicMass	425.271864
CLogP	7.1973
CLogS	-6.281
H Acceptors	2
TotalSurfaceArea	333.72
Relative PSA	0.040603
PolarSurfaceArea	12.47
Druglikeness	-0.70016
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.40625
Fragments	1
Non HAtoms	32
NonCHAtoms	2
Electronegative Atoms	2
StereoCenters	3
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	16
Symmetricatoms	6
BasicNitrogens	1
StereoCon	unknown chirality

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1 - 1-[(4E)-4-benzylidene-9-phenyl-2,3,5,6,7,8,9,9a-octahydro-1H-xanthen-4a-yl]pyrrolidine | 2 - 1-[(4E)-4-benzylidene-9-phenyl-2,3,5,6,7,8,9,9a-octahydro-1H-xanthen-4a-yl]pyrrolidine

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