SMILES:
OC1C(COc2ccccc2F)OC(n2cnc3c(NC4CCOC4)ncnc32)C1OMolecular Processing
Molecular formula
C20H22FN5O5
Molecular weight
431.42
Exact mass
431.1605
XLogP
0.86
TPSA
123.78
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
105.99
Supplementary Information
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