이름: 131
SMILES:
O=C(N1CC(CCl)c2c1ccc1cc([N+](=O)[O-])ccc21)C(F)(F)FMolecular Processing
Molecular formula
C15H10ClF3N2O3
Molecular weight
358.7
Exact mass
358.0332
XLogP
3.98
TPSA
63.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
82.47
Supplementary Information
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