Name: acetic acid 2-(6-aminomethyl-2-nitropyridin-3-yloxy)-ethyl ester
SMILES:
CC(=O)OCCOc1ccc(CN)nc1[N+](=O)[O-]Molecular Processing
Molecular formula
C10H13N3O5
Molecular weight
255.23
Exact mass
255.0855
XLogP
0.39
TPSA
117.58
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
60.91
Supplementary Information
Details werden geladen…
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