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6-(hydroxymethyl)-5-[(E)-3-phenylprop-2-enoxy]spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-7-ol

Formula:C20H27NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-(hydroxymethyl)-5-[(E)-3-phenylprop-2-enoxy]spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-7-ol is a drug-like molecule.
MolName6-(hydroxymethyl)-5-[(E)-3-phenylprop-2-enoxy]spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-7-ol
MolecularFormulaC20H27NO5
SmilesOCC(C(C1OC2(CCCC2)OC1C1)O)N1OC/C=C/c1ccccc1
InChIInChI=1S/C20H27NO5/c22-14-16-18(23)19-17(25-20(26-19)10-4-5-11-20)13-21(16)24-12-6-9-15-7-2-1-3-8-15/h1-3,6-9,16-19,22-23H,4-5,10-14H2
InChIKGKQZMRUVSZRKEI-UHFFFAOYSA-N
TotalMolweight361.436
Molweight361.436
MonoisotopicMass361.188924
CLogP0.8643
CLogS-3.017
H Acceptors6
H Donors2
TotalSurfaceArea268.99
Relative PSA0.22213
PolarSurfaceArea71.39
Druglikeness0.90694
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.57692
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms6
StereoCenters4
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms18
Symmetricatoms4
StereoConunknown chirality

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