SMILES:
CCc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1.ClMolecular Processing
Molecular formula
C17H18ClN3O
Molecular weight
315.8
Exact mass
315.1138
XLogP
3.93
TPSA
39.94
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.176
Molar refractivity
89.97
Supplementary Information
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Involved in 3 reactions→