SMILES:
COc1cc2c(Nc3cc(O)c(C)cc3F)cnnc2cc1OCc1ccncc1.ClMolecular Processing
Molecular formula
C22H20ClFN4O3
Molecular weight
442.88
Exact mass
442.1208
XLogP
4.93
TPSA
89.39
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
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
2
Fraction Csp3
0.136
Molar refractivity
117.99
Supplementary Information
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