SMILES:
O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21Molecular Processing
Molecular formula
C21H16Cl2N2O2
Molecular weight
399.28
Exact mass
398.0589
XLogP
5.77
TPSA
42.43
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
107.21
Supplementary Information
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