(E)-1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-phenylprop-2-en-1-one

Formula:C18H23NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-phenylprop-2-en-1-one
MolecularFormula	C18H23NO2
Smiles	OC(CCCC1)(CC2)C1CN2C(/C=C/c1ccccc1)=O
InChI	InChI=1S/C18H23NO2/c20-17(10-9-15-6-2-1-3-7-15)19-13-12-18(21)11-5-4-8-16(18)14-19/h1-3,6-7,9-10,16,21H,4-5,8,11-14H2
InChIK	RREQTQKYFINONH-UHFFFAOYSA-N
TotalMolweight	285.386
Molweight	285.386
MonoisotopicMass	285.172879
CLogP	2.9331
CLogS	-3.081
H Acceptors	3
H Donors	1
TotalSurfaceArea	226.39
Relative PSA	0.13115
PolarSurfaceArea	40.54
Druglikeness	-1.3357
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	2
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	2
Amides	1
StereoCon	unknown chirality

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1 - (E)-1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-phenylprop-2-en-1-one | 2 - (E)-1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-phenylprop-2-en-1-one

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