1-(4-fluorophenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

Formula:C24H28NOF Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-fluorophenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is a drug-like molecule.

MolName	1-(4-fluorophenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
MolecularFormula	C24H28NOF
Smiles	OC1(CCCC2)C2C(c(cc2)ccc2F)N(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C24H28FNO/c25-21-13-11-20(12-14-21)23-22-10-4-5-15-24(22,27)16-18-26(23)17-6-9-19-7-2-1-3-8-19/h1-3,6-9,11-14,22-23,27H,4-5,10,15-18H2
InChIK	WJIDANGHKXCJLA-UHFFFAOYSA-N
TotalMolweight	365.49
Molweight	365.49
MonoisotopicMass	365.215492
CLogP	4.8997
CLogS	-4.507
H Acceptors	2
H Donors	1
TotalSurfaceArea	287.25
Relative PSA	0.057963
PolarSurfaceArea	23.47
Druglikeness	-2.7521
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	3
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	unknown chirality

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1 - 1-(4-fluorophenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol | 2 - 1-(4-fluorophenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

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