이름: trans-1-methyl-3-phenyl-4-piperidinol
SMILES:
CN1CC[C@@H](Oc2ccc(C(F)(F)F)cc2)[C@H](c2ccccc2)C1.O=C(O)C(=O)OMolecular Processing
Molecular formula
C21H22F3NO5
Molecular weight
425.4
Exact mass
425.145
XLogP
3.73
TPSA
87.07
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
102.43
Supplementary Information
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