SMILES:
Cl.O=c1ccc2ncc(Cl)c3c2n1CC3CN1CCC(NCc2cc(F)c3c(c2)OCCO3)CC1Molecular Processing
Molecular formula
C25H27Cl2FN4O3
Molecular weight
521.42
Exact mass
520.1444
XLogP
3.73
TPSA
68.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.44
Molar refractivity
134.69
Supplementary Information
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