SMILES:
C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1ClMolecular Processing
Molecular formula
C15H13Cl2N3O2
Molecular weight
338.19
Exact mass
337.0385
XLogP
2.69
TPSA
49.05
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
85.11
Supplementary Information
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