CCON=C(CC)C1=C(O)CC(c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1=O
SMILES: CCON=C(CC)C1=C(O)CC(c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1=O

Molecular Processing

Molecular formula
C20H25N3O7
Molecular weight
419.43
Exact mass
419.1693
XLogP
4.49
TPSA
145.17
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
109.95

Supplementary Information

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