SMILES:
C=CCc1ccc(Cl)c(C(=O)OC(C)(C)C)c1Molecular Processing
Molecular formula
C14H17ClO2
Molecular weight
252.74
Exact mass
252.0917
XLogP
4.02
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
70.52
Supplementary Information
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