Name: product
SMILES:
CC1(c2ncccc2Cl)C=CC(=O)CC1Molecular Processing
Molecular formula
C12H12ClNO
Molecular weight
221.69
Exact mass
221.0607
XLogP
2.91
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.98
Supplementary Information
Details werden geladen…
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