COCCc1ccc(Cl)c(C(=O)OC(C)(C)C)c1
SMILES: COCCc1ccc(Cl)c(C(=O)OC(C)(C)C)c1

Molecular Processing

Molecular formula
C14H19ClO3
Molecular weight
270.76
Exact mass
270.1023
XLogP
3.48
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.2

Supplementary Information

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