이름: Compound A8
SMILES:
COc1ccc([N+](=O)[O-])cc1CN1CC2(CCN(C(=O)OC(C)(C)C)CC2)OC1=OMolecular Processing
Molecular formula
C20H27N3O7
Molecular weight
421.45
Exact mass
421.1849
XLogP
3.33
TPSA
111.45
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
106.31
Supplementary Information
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