SMILES:
CC(C)(C)c1cc(CCC(=O)Cl)cc(C(C)(C)C)c1OMolecular Processing
Molecular formula
C17H25ClO2
Molecular weight
296.84
Exact mass
296.1543
XLogP
4.69
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
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
0.588
Molar refractivity
84.69
Supplementary Information
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