SMILES:
COc1cc(-n2nc(-c3cc(CNC(=O)C(F)(F)F)ccc3Cl)[nH]c2=O)ccc1C(=O)Nc1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C26H18ClF6N5O4
Molecular weight
613.9
Exact mass
613.0952
XLogP
5.34
TPSA
118.11
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
138.48
Supplementary Information
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