SMILES:
Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)O)c21Molecular Processing
Molecular formula
C15H12ClN3O2
Molecular weight
301.73
Exact mass
301.0618
XLogP
3.67
TPSA
67.15
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
82.41
Supplementary Information
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