SMILES:
O=C(CCl)OC1=CC(=O)C2CCC1C2Molecular Processing
Molecular formula
C10H11ClO3
Molecular weight
214.65
Exact mass
214.0397
XLogP
1.65
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
50.73
Supplementary Information
Récupération des détails…
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