Name: 1-(4-(2-chloro-4-nitrophenyl)piperazin-1-yl)-2-methylpropan-1-one
SMILES:
CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1Molecular Processing
Molecular formula
C14H18ClN3O3
Molecular weight
311.77
Exact mass
311.1037
XLogP
2.55
TPSA
66.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
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
0.5
Molar refractivity
81.74
Supplementary Information
Details werden geladen…
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