SMILES:
CN1CCN(c2ccc(C(=O)Cl)c([N+](=O)[O-])c2)CC1Molecular Processing
Molecular formula
C12H14ClN3O3
Molecular weight
283.72
Exact mass
283.0724
XLogP
1.73
TPSA
66.69
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
72.99
Supplementary Information
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