SMILES:
COc1ccc(C(=O)c2cc(Cl)ccc2-n2nc(C(=O)O)nc2CCl)cc1Molecular Processing
Molecular formula
C18H13Cl2N3O4
Molecular weight
406.23
Exact mass
405.0283
XLogP
3.6
TPSA
94.31
H-bond donors
1
H-bond acceptors
5
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
9
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
99.31
Supplementary Information
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