이름: (S)-4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)-piperazine-2-carboxylic acid
SMILES:
O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1c1cc(Cl)c(Cl)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C19H17Cl2N3O6
Molecular weight
454.27
Exact mass
453.0494
XLogP
3.81
TPSA
113.22
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
110.09
Supplementary Information
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