SMILES:
COc1cc(C=C2CCC(CN(C)C)C2=O)cc(OC)c1.ClMolecular Processing
Molecular formula
C17H24ClNO3
Molecular weight
325.84
Exact mass
325.1445
XLogP
3.05
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
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
0.471
Molar refractivity
91.06
Supplementary Information
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