이름: α-(m-trifluoromethylphenyl)-4-morpholineacetonitrile
SMILES:
N#CC(c1cccc(C(F)(F)F)c1)N1CCOCC1Molecular Processing
Molecular formula
C13H13F3N2O
Molecular weight
270.25
Exact mass
270.098
XLogP
2.6
TPSA
36.26
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
62.19
Supplementary Information
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