SMILES:
CCCc1cnc(Cl)nc1CMolecular Processing
Molecular formula
C8H11ClN2
Molecular weight
170.64
Exact mass
170.0611
XLogP
2.39
TPSA
25.78
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
45.77
Supplementary Information
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