Nom: 31
SMILES:
CC(C)COC1=CC(=O)C(Cc2cccc(CCN=[N+]=[N-])c2)C1Molecular Processing
Molecular formula
C18H23N3O2
Molecular weight
313.4
Exact mass
313.179
XLogP
4.23
TPSA
75.06
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
89.85
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→