C1CN2CCC1C(C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)[N+](=O)[O-]
名称: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-nitro-1-benzofuran-2-carboxamide
SMILES: C1CN2CCC1C(C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Molecular Processing

Molecular formula
C16H17N3O4
Molecular weight
315.33
Exact mass
315.1219
XLogP
2.17
TPSA
88.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
83.29

Supplementary Information

InChIKey: LGMSVIRMXFTRMS-ZDUSSCGKSA-N
同義語
SCHEMBL2895559LGMSVIRMXFTRMS-ZDUSSCGKSA-NN-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-5-nitro-1-benzofuran-2-carboxamide
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