이름: 4-(4-methoxypyridin-2-yl)-2-nitrocinnamic acid ethyl ester
SMILES:
CCOC(=O)C=Cc1ccc(-c2cc(OC)ccn2)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C17H16N2O5
Molecular weight
328.32
Exact mass
328.1059
XLogP
3.24
TPSA
91.56
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
88.55
Supplementary Information
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