SMILES:
CC1CCCC(C)N1.O=C(O)C(Cl)Cc1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C16H23ClN2O4
Molecular weight
342.82
Exact mass
342.1346
XLogP
3.37
TPSA
92.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.562
Molar refractivity
89.99
Supplementary Information
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