Название: [2-[4-(4,6-dimethyl-2-pyridyl)piperazin-1-yl]-5-nitro-phenyl]methanol
SMILES:
Cc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])cc3CO)CC2)c1Molecular Processing
Molecular formula
C18H22N4O3
Molecular weight
342.4
Exact mass
342.1692
XLogP
2.43
TPSA
82.74
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
97.16
Supplementary Information
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