SMILES:
COCCO[C@@H]1c2ccn3c(Cl)c(C)nc3c2N[C@H](c2ccccc2)[C@H]1OMolecular Processing
Molecular formula
C20H22ClN3O3
Molecular weight
387.87
Exact mass
387.135
XLogP
3.53
TPSA
68.02
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
104.32
Supplementary Information
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