名称: 5-Chloro-1-methyl-10-oxa-tricyclo[5.2.1.0*2,6*]dec-4-en-3-one
SMILES:
CC12CCC(O1)C1C(Cl)=CC(=O)C12Molecular Processing
Molecular formula
C10H11ClO2
Molecular weight
198.65
Exact mass
198.0448
XLogP
1.88
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
48.44
Supplementary Information
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