CCOC(=O)Cc1cc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)nc(N)n1
SMILES: CCOC(=O)Cc1cc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)nc(N)n1

Molecular Processing

Molecular formula
C21H19FN6O3
Molecular weight
422.42
Exact mass
422.1503
XLogP
3.72
TPSA
128.04
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
112.63

Supplementary Information

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