이름: ethyl 2-cyano-2-[2-methoxy-3-(o-tolyloxy)phenyl]acetate
SMILES:
CCOC(=O)C(C#N)c1cccc(Oc2ccccc2C)c1OCMolecular Processing
Molecular formula
C19H19NO4
Molecular weight
325.36
Exact mass
325.1314
XLogP
3.97
TPSA
68.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
89.23
Supplementary Information
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