الاسم: 2-(5-fluoro-3-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
SMILES:
C1CN(CC2=CC=CC=C21)C3=C(C=C(C=N3)F)[N+](=O)[O-]Molecular Processing
Molecular formula
C14H12FN3O2
Molecular weight
273.27
Exact mass
273.0914
XLogP
2.69
TPSA
59.27
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
72.05
Supplementary Information
InChIKey: PFJISCPFYDYOPI-UHFFFAOYSA-N
مرادفات
SCHEMBL1736068PFJISCPFYDYOPI-UHFFFAOYSA-N2-(5-fluoro-3-nitropyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline
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