이름: 7-(2-fluoro-4-nitro-phenyl)-1,4-dioxa-7-aza-spiro[4.4]nonane
SMILES:
O=[N+]([O-])c1ccc(N2CCC3(C2)OCCO3)c(F)c1Molecular Processing
Molecular formula
C12H13FN2O4
Molecular weight
268.24
Exact mass
268.0859
XLogP
1.69
TPSA
64.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.52
Supplementary Information
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