COC(=O)c1ccc2c(c1)/C(=C/Cn1cnc3cc([N+](=O)[O-])ccc31)c1ccccc1CO2
SMILES: COC(=O)c1ccc2c(c1)/C(=C/Cn1cnc3cc([N+](=O)[O-])ccc31)c1ccccc1CO2

Molecular Processing

Molecular formula
C25H19N3O5
Molecular weight
441.44
Exact mass
441.1325
XLogP
4.76
TPSA
96.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
122.02

Supplementary Information

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