SMILES:
CCN1c2ncccc2C(=O)N(C(C)=O)c2c1nc(Cl)c([N+](=O)[O-])c2CMolecular Processing
Molecular formula
C16H14ClN5O4
Molecular weight
375.77
Exact mass
375.0734
XLogP
3.01
TPSA
109.54
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
95.05
Supplementary Information
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