Name: (S)-2-(Azetidin-1-yl)-1-(4-chloro-3-(trifluoromethyl)phenyl)ethan-1-amine
SMILES:
N[C@H](CN1CCC1)c1ccc(Cl)c(C(F)(F)F)c1Molecular Processing
Molecular formula
C12H14ClF3N2
Molecular weight
278.7
Exact mass
278.0798
XLogP
3.06
TPSA
29.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.44
Supplementary Information
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