SMILES:
COc1cc(-c2cc(F)ccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)CC2Molecular Processing
Molecular formula
C22H15Cl3FNO2
Molecular weight
450.72
Exact mass
449.0152
XLogP
7.07
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
115.33
Supplementary Information
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