SMILES:
CCNC1=C(C(=O)OCC)C(=O)C(=Cc2c[nH]c3ncccc23)O1.ClMolecular Processing
Molecular formula
C17H18ClN3O4
Molecular weight
363.8
Exact mass
363.0986
XLogP
2.31
TPSA
93.31
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.235
Molar refractivity
94.75
Supplementary Information
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