이름: 2-(2-amino-4,5-dichloro-benzoylamino)-3-phenyl-propionic acid methyl ester
SMILES:
COC(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)c(Cl)cc1NMolecular Processing
Molecular formula
C17H16Cl2N2O3
Molecular weight
367.23
Exact mass
366.0538
XLogP
3.09
TPSA
81.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
94.29
Supplementary Information
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