SMILES:
Cl.N=C(N)NN=C1CC(c2ccccc2Cl)Cc2nncc(-c3ccc(Cl)cc3)c21Molecular Processing
Molecular formula
C21H19Cl3N6
Molecular weight
461.78
Exact mass
460.0737
XLogP
4.79
TPSA
100.04
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.143
Molar refractivity
123.83
Supplementary Information
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