SMILES:
O=c1c2c(c(O)nn1-c1ccc(O)cc1)Nc1cc(Cl)ccc1C2Molecular Processing
Molecular formula
C17H12ClN3O3
Molecular weight
341.75
Exact mass
341.0567
XLogP
2.94
TPSA
87.38
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
90.7
Supplementary Information
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