SMILES:
COc1cc(C=C2CCC(CN(C)C)C2=O)cc(OC)c1OC.ClMolecular Processing
Molecular formula
C18H26ClNO4
Molecular weight
355.86
Exact mass
355.155
XLogP
3.06
TPSA
48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
97.61
Supplementary Information
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