Name: Compound 70
SMILES:
COc1cc2c(cc1N1CCOCC1)C/C(=C\c1ccc(C(F)(F)F)nc1)C2=OMolecular Processing
Molecular formula
C21H19F3N2O3
Molecular weight
404.39
Exact mass
404.1348
XLogP
3.77
TPSA
51.66
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
101.28
Supplementary Information
Details werden geladen…
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