SMILES:
CC1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(Cl)c21Molecular Processing
Molecular formula
C15H12ClN3O4
Molecular weight
333.73
Exact mass
333.0516
XLogP
3.44
TPSA
95.22
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
81.33
Supplementary Information
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