SMILES:
CC1(C)CC(c2cccc(C(F)(F)F)c2)c2ccc(OCC#N)cc2O1Molecular Processing
Molecular formula
C20H18F3NO2
Molecular weight
361.36
Exact mass
361.129
XLogP
5.3
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
90.16
Supplementary Information
Details werden geladen…
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