이름: 1,3,5-trimethyl-β-oxo-2-pyrrolpropionitrile
SMILES:
Cc1cc(C)n(C)c1C(=O)CC#NMolecular Processing
Molecular formula
C10H12N2O
Molecular weight
176.22
Exact mass
176.095
XLogP
1.74
TPSA
45.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
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
0.4
Molar refractivity
49.45
Supplementary Information
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