이름: Tert-butyl-3-(3-chloro-4-fluorophenyl)-3-hydroxypyrrolidin-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(O)(c2ccc(F)c(Cl)c2)C1Molecular Processing
Molecular formula
C15H19ClFNO3
Molecular weight
315.77
Exact mass
315.1037
XLogP
3.31
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
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
0.533
Molar refractivity
77.73
Supplementary Information
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