이름: 2'-cyanomethylspiro[benzofuran-2(3H),4'(2'H)-isoquinoline]
SMILES:
N#CCN1Cc2ccccc2C2(Cc3ccccc3O2)C1Molecular Processing
Molecular formula
C18H16N2O
Molecular weight
276.34
Exact mass
276.1263
XLogP
2.86
TPSA
36.26
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
79.78
Supplementary Information
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