SMILES:
CCn1c(=O)n(C2CCN(c3nc(Cl)nc4cc(OC)c(OC)cc34)CC2)c(=O)c2cc([N+](=O)[O-])ccc21Molecular Processing
Molecular formula
C25H25ClN6O6
Molecular weight
540.96
Exact mass
540.1524
XLogP
3.55
TPSA
134.62
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
142.93
Supplementary Information
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