SMILES:
CC(C)Oc1ccc(-c2nc(-c3c(F)ccc4c(CCC(=O)O)c[nH]c34)no2)cc1ClMolecular Processing
Molecular formula
C22H19ClFN3O4
Molecular weight
443.86
Exact mass
443.1048
XLogP
5.48
TPSA
101.24
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
113.72
Supplementary Information
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