Name: (R)-3-(3-nitro-pyrazol-1-yl)-propane-1,2-diol
SMILES:
O=[N+]([O-])c1ccn(C[C@@H](O)CO)n1Molecular Processing
Molecular formula
C6H9N3O4
Molecular weight
187.16
Exact mass
187.0593
XLogP
-0.86
TPSA
101.42
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
41.97
Supplementary Information
Details werden geladen…
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