SMILES:
CC(=O)Nn1cnnc1N(N=Cc1c(Cl)cccc1Cl)C(C)=OMolecular Processing
Molecular formula
C13H12Cl2N6O2
Molecular weight
355.19
Exact mass
354.0399
XLogP
2.06
TPSA
92.48
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
87.28
Supplementary Information
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