SMILES:
COC(=O)C(OC1C=CCCC1)c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C15H16Cl2O3
Molecular weight
315.2
Exact mass
314.0476
XLogP
4.33
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
79.08
Supplementary Information
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