SMILES:
COc1ccc2[nH]cc(Cl)c(=O)c2n1Molecular Processing
Molecular formula
C9H7ClN2O2
Molecular weight
210.62
Exact mass
210.0196
XLogP
1.59
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
53.93
Supplementary Information
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