SMILES:
Cc1ccc2c3c(ccc2n1)OCC(CNC1CCC(c2c[nH]c4ccc(F)cc24)CC1)O3Molecular Processing
Molecular formula
C27H28FN3O2
Molecular weight
445.54
Exact mass
445.2166
XLogP
5.62
TPSA
59.17
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
33
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
127.65
Supplementary Information
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