SMILES:
Cl.Cl.N=C(NO)c1cccc2c1CCC2=Nn1cc(-c2ccccc2)nc1NMolecular Processing
Molecular formula
C19H20Cl2N6O
Molecular weight
419.32
Exact mass
418.1076
XLogP
3.48
TPSA
112.31
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.105
Molar refractivity
115.02
Supplementary Information
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