SMILES:
COc1c(Cl)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12Molecular Processing
Molecular formula
C14H11ClFNO4
Molecular weight
311.7
Exact mass
311.0361
XLogP
2.84
TPSA
68.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
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
0.286
Molar refractivity
74.96
Supplementary Information
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