SMILES:
O=C(Oc1cccc(Cl)c1)c1ncn2c1C1CCCN1C(=O)c1c(Cl)cccc1-2Molecular Processing
Molecular formula
C21H15Cl2N3O3
Molecular weight
428.28
Exact mass
427.049
XLogP
4.69
TPSA
64.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
108
Supplementary Information
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