이름: Benzoic acid 1-cyano-3-(4-methoxy-phenyl)-allyl ester
SMILES:
COc1ccc(C=CC(C#N)OC(=O)c2ccccc2)cc1Molecular Processing
Molecular formula
C18H15NO3
Molecular weight
293.32
Exact mass
293.1052
XLogP
3.46
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
83.29
Supplementary Information
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