SMILES:
CCCC(=Cc1ccc(OC2(C(=O)O)CCC2)c(Cl)c1Cl)[N+](=O)[O-]Molecular Processing
Molecular formula
C16H17Cl2NO5
Molecular weight
374.22
Exact mass
373.0484
XLogP
4.8
TPSA
89.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
91.19
Supplementary Information
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