이름: 4-acetylamino-3,5-bis-trifluoromethylnitrobenzene
SMILES:
CC(=O)Nc1c(C(F)(F)F)cc([N+](=O)[O-])cc1C(F)(F)FMolecular Processing
Molecular formula
C10H6F6N2O3
Molecular weight
316.16
Exact mass
316.0283
XLogP
3.59
TPSA
72.24
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
57.4
Supplementary Information
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