Name: 4,5-Dinitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CC2CC(C1)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc12Molecular Processing
Molecular formula
C16H19N3O6
Molecular weight
349.34
Exact mass
349.1274
XLogP
3.32
TPSA
115.82
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
87.66
Supplementary Information
Details werden geladen…
An 11 Reaktionen beteiligt→