이름: trans-3-(4-oxo-4H-1-benzopyran-3-yl)-acrylonitrile
SMILES:
N#C/C=C/c1coc2ccccc2c1=OMolecular Processing
Molecular formula
C12H7NO2
Molecular weight
197.19
Exact mass
197.0477
XLogP
2.33
TPSA
54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
57.13
Supplementary Information
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