SMILES:
Cc1ccc(C2CN(c3cc4c(cc3F)ncc3c4c(=O)c(C(=O)O)cn3C)CCN2)cc1CMolecular Processing
Molecular formula
C26H25FN4O3
Molecular weight
460.51
Exact mass
460.1911
XLogP
3.69
TPSA
87.46
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
130.28
Supplementary Information
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