SMILES:
COCC(O)CN[C@@H]1CCC[C@H](Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)C1Molecular Processing
Molecular formula
C21H26ClFN6O2
Molecular weight
448.93
Exact mass
448.179
XLogP
3.13
TPSA
107.98
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
117.64
Supplementary Information
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