SMILES:
COc1cccc2c1OC(CNC1CCC(c3c[nH]c4ccc(F)cc34)C1)CO2Molecular Processing
Molecular formula
C23H25FN2O3
Molecular weight
396.46
Exact mass
396.1849
XLogP
4.38
TPSA
55.51
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
109.54
Supplementary Information
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