الاسم: isoxazol-5-ylacetonitrile
SMILES:
N#CCc1ccno1Molecular Processing
Molecular formula
C5H4N2O
Molecular weight
108.1
Exact mass
108.0324
XLogP
0.74
TPSA
49.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
25.82
Supplementary Information
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