이름: 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl acetate
SMILES:
CC(=O)OCCOc1ccc(C)nc1[N+](=O)[O-]Molecular Processing
Molecular formula
C10H12N2O5
Molecular weight
240.22
Exact mass
240.0746
XLogP
1.24
TPSA
91.56
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
57.76
Supplementary Information
InChIKey: YFOGRKJBMCIONW-UHFFFAOYSA-N
동의어
SCHEMBL3024027YFOGRKJBMCIONW-UHFFFAOYSA-Nacetic acid 2-(6-methyl-2-nitro-pyridin-3-yloxy)-ethyl ester
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