الاسم: 4-hydroxy-2-butynyl 4-cyano-3,4-diphenylbutyrate
SMILES:
N#CC(c1ccccc1)C(CC(=O)OCC#CCO)c1ccccc1Molecular Processing
Molecular formula
C21H19NO3
Molecular weight
333.39
Exact mass
333.1365
XLogP
3.01
TPSA
70.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
94.42
Supplementary Information
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