SMILES:
CCC(=O)Nc1c([N+](=O)[O-])cnn1-c1ccc(Cl)c(Cl)c1ClMolecular Processing
Molecular formula
C12H9Cl3N4O3
Molecular weight
363.59
Exact mass
361.974
XLogP
4.09
TPSA
90.06
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
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
0.167
Molar refractivity
84.17
Supplementary Information
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