이름: compound ( [3]-(32)-587 )
SMILES:
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOCC1Molecular Processing
Molecular formula
C11H12N2O5
Molecular weight
252.23
Exact mass
252.0746
XLogP
0.77
TPSA
92.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
61.48
Supplementary Information
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