SMILES:
Cc1ccncc1C(=O)CCl.ClMolecular Processing
Molecular formula
C8H9Cl2NO
Molecular weight
206.07
Exact mass
205.0061
XLogP
2.23
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
51.27
Supplementary Information
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