SMILES:
COc1cc(C=C2CCC(CN(C)C)C2=O)ccc1O.ClMolecular Processing
Molecular formula
C16H22ClNO3
Molecular weight
311.81
Exact mass
311.1288
XLogP
2.75
TPSA
49.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
86.17
Supplementary Information
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