SMILES:
O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCNc2ccccc21Molecular Processing
Molecular formula
C20H15Cl2N3O2
Molecular weight
400.27
Exact mass
399.0541
XLogP
5.25
TPSA
54.46
H-bond donors
1
H-bond acceptors
4
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
7
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
107.38
Supplementary Information
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