COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+]([O-])=Cc2ccc([N+](=O)[O-])cc2)c1
SMILES: COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+]([O-])=Cc2ccc([N+](=O)[O-])cc2)c1

Molecular Processing

Molecular formula
C28H31N3O8
Molecular weight
537.57
Exact mass
537.2111
XLogP
4.23
TPSA
143.07
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
39
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
0.321
Molar refractivity
143.33

Supplementary Information

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