SMILES:
CC1=C/C(=N\c2c(NCC[N+](C)(C)C)nn3ccccc23)C(N)=C(Cl)C1=O.[Cl-]Molecular Processing
Molecular formula
C19H24Cl2N6O
Molecular weight
423.35
Exact mass
422.1389
XLogP
-0.53
TPSA
84.78
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.316
Molar refractivity
109.51
Supplementary Information
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