O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1c(F)cc(Cl)c(O)c1[N+](=O)[O-]
SMILES: O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1c(F)cc(Cl)c(O)c1[N+](=O)[O-]

Molecular Processing

Molecular formula
C11H4ClF4N3O5
Molecular weight
369.61
Exact mass
368.9776
XLogP
1.95
TPSA
118.23
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
70.95

Supplementary Information

Details werden geladen…

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