名称: compound 2A
SMILES:
COC(=O)[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12Molecular Processing
Molecular formula
C17H17N3O5
Molecular weight
343.34
Exact mass
343.1168
XLogP
2.92
TPSA
101.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
91.37
Supplementary Information
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