SMILES:
COc1cc(Cc2nccc3cc(Cl)c(Cl)cc23)cc(OC)c1OC.ClMolecular Processing
Molecular formula
C19H18Cl3NO3
Molecular weight
414.72
Exact mass
413.0352
XLogP
5.58
TPSA
40.58
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.211
Molar refractivity
107.92
Supplementary Information
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