SMILES:
O=C1CCC(N2C(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3C2=O)C(=O)N1Molecular Processing
Molecular formula
C20H14N4O7
Molecular weight
422.35
Exact mass
422.0862
XLogP
1.25
TPSA
155.79
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
104.16
Supplementary Information
Récupération des détails…
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