SMILES:
CCOC(=O)CNc1nc(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C31H28N6O8
Molecular weight
612.6
Exact mass
612.1969
XLogP
5.1
TPSA
179.04
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
13
Heavy atoms
45
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.194
Molar refractivity
160.35
Supplementary Information
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