SMILES:
Fc1ccc(OCc2ccccc2)c(-c2nc3c(Cl)cccc3cc2CNc2ncnc3[nH]cnc23)c1Molecular Processing
Molecular formula
C28H20ClFN6O
Molecular weight
510.96
Exact mass
510.1371
XLogP
6.55
TPSA
88.61
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
37
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
141.93
Supplementary Information
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