이름: tert-butyl 4-(2-fluoro-5-iodo-4-methoxyphenyl)piperidine-1-carboxylate
SMILES:
COc1cc(F)c(C2CCN(C(=O)OC(C)(C)C)CC2)cc1IMolecular Processing
Molecular formula
C17H23FINO3
Molecular weight
435.28
Exact mass
435.0707
XLogP
4.55
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
95.45
Supplementary Information
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