C1CC(=NC1)C2=C3C(=CC(=C2)F)OCCO3
Название: 5-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-3,4-dihydro-2H-pyrrole
SMILES: C1CC(=NC1)C2=C3C(=CC(=C2)F)OCCO3

Molecular Processing

Molecular formula
C12H12FNO2
Molecular weight
221.23
Exact mass
221.0852
XLogP
2.18
TPSA
30.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
58.03

Supplementary Information

InChIKey: MLZHKIPLXACTHW-UHFFFAOYSA-N
Синонимы
SCHEMBL15017037MLZHKIPLXACTHW-UHFFFAOYSA-N5-(7-fluoro-2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-3,4-dihydro-2H-pyrrole5-(7-fluoro-2,3-dihydrobenzo [b][1,4]dioxin-5-yl)-3,4-dihydro-2H-pyrrole
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