이름: trans-Methanesulfonic acid 3-(4-methylamino-cyclohexyl)-prop-2-ynyl ester trifluoroacetate
SMILES:
CN[C@H]1CC[C@H](C#CCOS(C)(=O)=O)CC1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C13H20F3NO5S
Molecular weight
359.37
Exact mass
359.1014
XLogP
1.38
TPSA
92.7
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.769
Molar refractivity
77.07
Supplementary Information
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