이름: product
SMILES:
O=C(O)c1cn(C2CC2)c2c(F)c(F)c(Cl)cc2c1=OMolecular Processing
Molecular formula
C13H8ClF2NO3
Molecular weight
299.66
Exact mass
299.0161
XLogP
2.97
TPSA
59.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
68.36
Supplementary Information
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