SMILES:
COc1ccc(-n2nc(CCC(=O)[O-])cc2-c2ccc(Cl)cc2)cc1.O.[Na+]Molecular Processing
Molecular formula
C19H18ClN2NaO4
Molecular weight
396.81
Exact mass
396.0853
XLogP
-0.94
TPSA
98.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.158
Molar refractivity
97.5
Supplementary Information
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