SMILES:
COc1cc2c(cc1OC)C(C1(c3ccc(Cl)cc3Cl)CCC1)N(C)CC2Molecular Processing
Molecular formula
C22H25Cl2NO2
Molecular weight
406.35
Exact mass
405.1262
XLogP
5.66
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
110.61
Supplementary Information
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