O=C(c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c(C#CCO)cn1)N1CCc2cc(F)ccc21
SMILES: O=C(c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c(C#CCO)cn1)N1CCc2cc(F)ccc21

Molecular Processing

Molecular formula
C28H25FN6O3
Molecular weight
512.55
Exact mass
512.1972
XLogP
2.65
TPSA
107.35
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
38
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
0.286
Molar refractivity
140.82

Supplementary Information

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