SMILES:
Nc1nc(Cl)ccc1C(=O)OMolecular Processing
Molecular formula
C6H5ClN2O2
Molecular weight
172.57
Exact mass
172.004
XLogP
1.02
TPSA
76.21
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
40.62
Supplementary Information
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