CN1CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1
Name: 1-methyl-4-(4-nitro-2-(trifluoromethyl)benzyl)piperazine
SMILES: CN1CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

Molecular Processing

Molecular formula
C13H16F3N3O2
Molecular weight
303.28
Exact mass
303.1195
XLogP
2.36
TPSA
49.62
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
8
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
70.87

Supplementary Information

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