SMILES:
O=C(Nc1cn(Cc2cn(C3CCNCC3)nn2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12Molecular Processing
Molecular formula
C25H23ClF2N10O2
Molecular weight
568.98
Exact mass
568.1662
XLogP
3.66
TPSA
129.08
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
40
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
140.51
Supplementary Information
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