SMILES:
ClCCc1c[nH]c2ncccc12Molecular Processing
Molecular formula
C9H9ClN2
Molecular weight
180.64
Exact mass
180.0454
XLogP
2.34
TPSA
28.68
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.52
Supplementary Information
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