Name: product
SMILES:
CCNc1nc2ccc([N+](=O)[O-])cc2cc1CMolecular Processing
Molecular formula
C12H13N3O2
Molecular weight
231.25
Exact mass
231.1008
XLogP
2.88
TPSA
68.06
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
67.3
Supplementary Information
Details werden geladen…
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