이름: N-BOC N-(3,4-dichlorophenyl)glycine iso-butyl ester
SMILES:
CC(C)COC(=O)CN(C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C17H23Cl2NO4
Molecular weight
376.28
Exact mass
375.1004
XLogP
4.93
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
95.84
Supplementary Information
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