SMILES:
O=C(Nc1cccc(Cc2ccccc2Cl)n1)C1(c2ccc3c(c2)OCO3)CC1Molecular Processing
Molecular formula
C23H19ClN2O3
Molecular weight
406.87
Exact mass
406.1084
XLogP
4.72
TPSA
60.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
110.6
Supplementary Information
Récupération des détails…
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