SMILES:
CCCNc1nc(C#N)c(C#N)nc1-c1cccc(Cl)c1Molecular Processing
Molecular formula
C15H12ClN5
Molecular weight
297.75
Exact mass
297.0781
XLogP
3.36
TPSA
85.39
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
80.69
Supplementary Information
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