CCc1cc(-c2cncc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c2)c(C)[nH]c1=O
SMILES: CCc1cc(-c2cncc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c2)c(C)[nH]c1=O

Molecular Processing

Molecular formula
C22H22N4O4
Molecular weight
406.44
Exact mass
406.1641
XLogP
3.19
TPSA
117.99
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
113.54

Supplementary Information

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