SMILES:
O=C(c1cc(Cl)nc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1)N1CCc2cc(F)ccc21Molecular Processing
Molecular formula
C25H22ClFN6O2
Molecular weight
492.94
Exact mass
492.1477
XLogP
3.96
TPSA
87.12
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
35
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
131.87
Supplementary Information
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