SMILES:
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1Molecular Processing
Molecular formula
C15H20ClN3O4
Molecular weight
341.8
Exact mass
341.1142
XLogP
3.31
TPSA
75.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
88.13
Supplementary Information
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