الاسم: 1-Boc-4-(5-nitro-2-pentafluoroethyl-benzyl)-piperazine
SMILES:
CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)C(F)(F)F)CC1Molecular Processing
Molecular formula
C18H22F5N3O4
Molecular weight
439.38
Exact mass
439.153
XLogP
4.3
TPSA
75.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
96.13
Supplementary Information
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