SMILES:
Cl.Cl.c1cc2cc(-c3ccc(OC4C5CC6CC4CN(C6)C5)cn3)ccc2[nH]1Molecular Processing
Molecular formula
C22H25Cl2N3O
Molecular weight
418.37
Exact mass
417.1375
XLogP
4.79
TPSA
41.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28
Rings
7
Aromatic rings
3
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
3
Fraction Csp3
0.409
Molar refractivity
116.59
Supplementary Information
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