이름: 3,3-difluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)piperidine
SMILES:
Cn1ncc([N+](=O)[O-])c1N1CCCC(F)(F)C1Molecular Processing
Molecular formula
C9H12F2N4O2
Molecular weight
246.22
Exact mass
246.0928
XLogP
1.56
TPSA
64.2
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
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
0.667
Molar refractivity
56.26
Supplementary Information
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