SMILES:
COC1(Cl)CC2=C(C=C1Cl)C(=O)C(C)(C1CCCC1)C2Molecular Processing
Molecular formula
C16H20Cl2O2
Molecular weight
315.24
Exact mass
314.084
XLogP
4.56
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.688
Molar refractivity
80.86
Supplementary Information
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