SMILES:
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc(NO)c1Molecular Processing
Molecular formula
C21H28N2O6
Molecular weight
404.46
Exact mass
404.1947
XLogP
2.86
TPSA
106.12
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
107.19
Supplementary Information
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