SMILES:
COc1cccc2c(OC3CCN(CCC(=O)c4ccc(Cl)cc4)CC3)cccc12.ClMolecular Processing
Molecular formula
C25H27Cl2NO3
Molecular weight
460.4
Exact mass
459.1368
XLogP
6.04
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.32
Molar refractivity
128.24
Supplementary Information
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