Name: chloride
SMILES:
[O-][n+]1nc(Cl)nc2ccc3c(c21)CCC3Molecular Processing
Molecular formula
C10H8ClN3O
Molecular weight
221.65
Exact mass
221.0356
XLogP
1.41
TPSA
52.72
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
55.53
Supplementary Information
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