SMILES:
CCOC(=O)C1=C(NCc2ccccc2)OC(=Cc2c[nH]c3ncccc23)C1=O.ClMolecular Processing
Molecular formula
C22H20ClN3O4
Molecular weight
425.87
Exact mass
425.1142
XLogP
3.49
TPSA
93.31
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.136
Molar refractivity
114.35
Supplementary Information
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