이름: 2,2,2-Trifluoro-1-(4-hydroxy-5-nitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-ethanone
SMILES:
O=C(N1CC2CC(C1)c1cc([N+](=O)[O-])c(O)cc12)C(F)(F)FMolecular Processing
Molecular formula
C13H11F3N2O4
Molecular weight
316.23
Exact mass
316.0671
XLogP
2.28
TPSA
83.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
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
0.462
Molar refractivity
67.5
Supplementary Information
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