COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+]([O-])=Cc2ccccc2)c1
SMILES: COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+]([O-])=Cc2ccccc2)c1

Molecular Processing

Molecular formula
C28H32N2O6
Molecular weight
492.57
Exact mass
492.226
XLogP
4.32
TPSA
99.93
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
136.68

Supplementary Information

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