SMILES:
COC(=O)CCN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2[N+](=O)[O-])C1=OMolecular Processing
Molecular formula
C20H18N4O5
Molecular weight
394.39
Exact mass
394.1277
XLogP
2.94
TPSA
116.78
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
104.2
Supplementary Information
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