이름: compound
SMILES:
CCOC(=O)C1=C(Nc2cccc(Cl)c2)OC(=Cc2c[nH]c3ncccc23)C1=OMolecular Processing
Molecular formula
C21H16ClN3O4
Molecular weight
409.83
Exact mass
409.0829
XLogP
4.04
TPSA
93.31
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
108.9
Supplementary Information
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