Name: 157
SMILES:
COc1cc2c(cc1N1CCOCC1)C/C(=C\c1cc(C(F)(F)F)ccc1Cl)C2=OMolecular Processing
Molecular formula
C22H19ClF3NO3
Molecular weight
437.84
Exact mass
437.1006
XLogP
5.03
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
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
0.318
Molar refractivity
108.49
Supplementary Information
Details werden geladen…
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