이름: (3R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
SMILES:
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1FMolecular Processing
Molecular formula
C15H18F3NO4
Molecular weight
333.31
Exact mass
333.1188
XLogP
3.01
TPSA
75.63
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
75.43
Supplementary Information
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