CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2cccnc2)=C(C)N1
SMILES: CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2cccnc2)=C(C)N1

Molecular Processing

Molecular formula
C23H22N4O7
Molecular weight
466.45
Exact mass
466.1488
XLogP
2.28
TPSA
160.76
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
119.54

Supplementary Information

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