الاسم: 39
SMILES:
N#CCC(=O)[C@@H]1C[C@H]1c1ccccc1Molecular Processing
Molecular formula
C12H11NO
Molecular weight
185.23
Exact mass
185.0841
XLogP
2.27
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
52.53
Supplementary Information
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