SMILES:
COCc1cc(-c2nc(-c3cccc(CN(C)CC(=O)O)c3)no2)ccc1-c1cc(F)ccc1Cl.ClMolecular Processing
Molecular formula
C26H24Cl2FN3O4
Molecular weight
532.4
Exact mass
531.1128
XLogP
5.95
TPSA
88.69
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.192
Molar refractivity
137.5
Supplementary Information
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