SMILES:
COc1cc(C=C2CCC3CC(O)CC(c4ccc(F)cc4)N3C2=O)ccc1-n1cnc(C)c1Molecular Processing
Molecular formula
C27H28FN3O3
Molecular weight
461.54
Exact mass
461.2115
XLogP
4.6
TPSA
67.59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
127.08
Supplementary Information
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