(2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol

Formula:C18H18NO2Cl Mutagenic:low Tumorigenic:high Reproductive Effective:none (2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.

MolName	(2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
MolecularFormula	C18H18NO2Cl
Smiles	OC(C1CCN2CC1)/C2=C/c1ccc(-c(cc2)ccc2Cl)o1
InChI	InChI=1S/C18H18ClNO2/c19-14-3-1-12(2-4-14)17-6-5-15(22-17)11-16-18(21)13-7-9-20(16)10-8-13/h1-6,11,13,18,21H,7-10H2/t18-/m0/s1
InChIK	RNNIXJCZFLCQKU-SFHVURJKSA-N
TotalMolweight	315.799
Molweight	315.799
MonoisotopicMass	315.102606
CLogP	3.8065
CLogS	-4.814
H Acceptors	3
H Donors	1
TotalSurfaceArea	232.53
Relative PSA	0.13228
PolarSurfaceArea	36.61
Druglikeness	5.8739
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	2
Rings Closures	4
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
BasicNitrogens	1
StereoCon	racemate

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