SMILES:
CC(C)(C)c1cc(C(=O)c2c[nH]c(Cl)c2)cc(C(C)(C)C)c1OMolecular Processing
Molecular formula
C19H24ClNO2
Molecular weight
333.86
Exact mass
333.1496
XLogP
5.2
TPSA
53.09
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
94.74
Supplementary Information
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