SMILES:
CCOC(=O)C=CC#Cc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C13H11NO4
Molecular weight
245.23
Exact mass
245.0688
XLogP
2.07
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
65.75
Supplementary Information
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