이름: 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-fluorophenyl)-N,N-dimethylmethanamine
SMILES:
CN(C)C(C1CCC2(CC1)OCCO2)C3=CC(=CC=C3)FMolecular Processing
Molecular formula
C17H24FNO2
Molecular weight
293.38
Exact mass
293.1791
XLogP
3.36
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
79.42
Supplementary Information
InChIKey: XZZNXMLSUXWNPQ-UHFFFAOYSA-N
동의어
SCHEMBL493957XZZNXMLSUXWNPQ-UHFFFAOYSA-N[(1,4-Dioxa-spiro[4.5]dec-8-yl)-3-fluorophenyl-methyl]-dimethyl-amine[(1,4-Dioxa-spiro[4.5]dec-8-yl)-3-fluorophenyl-methyl]-dimethylamine[(1,4-dioxa-spiro[4.5]dec-8-yl)-3-fluorophenylmethyl]-dimethylamine
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