SMILES:
CCOC(=O)C1=C(N2CCCC2)OC(=Cc2c[nH]c3ncccc23)C1=O.ClMolecular Processing
Molecular formula
C19H20ClN3O4
Molecular weight
389.84
Exact mass
389.1142
XLogP
2.8
TPSA
84.52
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.316
Molar refractivity
101.88
Supplementary Information
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