SMILES:
CC1=[NH+]c2ccc(CN3C(=O)c4ccccc4C3=O)cc2C1(C)C.[O-][Cl+3]([O-])([O-])[O-]Molecular Processing
Molecular formula
C20H19ClN2O6
Molecular weight
418.83
Exact mass
418.0932
XLogP
-2.81
TPSA
143.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
91.42
Supplementary Information
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