名称: 5-[4-(methylamino)cyclohexyl]pentyl methanesulfonate;2,2,2-trifluoroacetic acid
SMILES:
CNC1CCC(CC1)CCCCCOS(=O)(=O)C.C(=O)(C(F)(F)F)OMolecular Processing
Molecular formula
C15H28F3NO5S
Molecular weight
391.45
Exact mass
391.164
XLogP
2.93
TPSA
92.7
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
25
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
0.933
Molar refractivity
87.76
Supplementary Information
InChIKey: GOAPVDQPBYHJMJ-UHFFFAOYSA-N
同義語
GOAPVDQPBYHJMJ-UBRLZZGHSA-Ntrans-Methansulfonic acid 5-(4-methyl amino-cyclohexyl)-pentyl ester-Trifluoroacetic acid salt
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