名称: 2-(2-ethynylphenyl)butanamide
SMILES:
C#Cc1ccccc1C(CC)C(N)=OMolecular Processing
Molecular formula
C12H13NO
Molecular weight
187.24
Exact mass
187.0997
XLogP
1.65
TPSA
43.09
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
56.6
Supplementary Information
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