الاسم: product
SMILES:
COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C17H22N2O5
Molecular weight
334.37
Exact mass
334.1529
XLogP
3.63
TPSA
81.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
90.05
Supplementary Information
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