Name: (4-Methyl-piperazin-1-yl)-(3-nitro-phenyl)-methanone
SMILES:
CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1Molecular Processing
Molecular formula
C12H15N3O3
Molecular weight
249.27
Exact mass
249.1113
XLogP
0.98
TPSA
66.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
66.5
Supplementary Information
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