SMILES:
Cl.NCCNc1cccc2cnccc12Molecular Processing
Molecular formula
C11H14ClN3
Molecular weight
223.71
Exact mass
223.0876
XLogP
2.03
TPSA
50.94
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.182
Molar refractivity
66.54
Supplementary Information
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