SMILES:
Cn1cc2c3c(c(Cl)cc2n1)CCC3=CC#NMolecular Processing
Molecular formula
C13H10ClN3
Molecular weight
243.7
Exact mass
243.0563
XLogP
3.08
TPSA
41.61
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
67.64
Supplementary Information
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