이름: 3-(4-bromo-phenyl)-3-(4-chloro-phenyl)-2-cyano-propionic acid ethyl ester
SMILES:
CCOC(=O)C(C#N)C(c1ccc(Cl)cc1)c1ccc(Br)cc1Molecular Processing
Molecular formula
C18H15BrClNO2
Molecular weight
392.68
Exact mass
390.9975
XLogP
4.94
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
93.17
Supplementary Information
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